N-(2-amino-2-oxo-1-phenylethyl)propanamide;3-cyclohexylheptan-2-one;cyclopropane;2,2-dimethylbutyl acetate;4,5-dimethylheptane-2,3-dione;ethane;3-ethyl-4-methylhexan-2-one;ethylphosphane;methanamine

C60H118N3O8P — CID 143355975

IUPACN-(2-amino-2-oxo-1-phenylethyl)propanamide;3-cyclohexylheptan-2-one;cyclopropane;2,2-dimethylbutyl acetate;4,5-dimethylheptane-2,3-dione;ethane;3-ethyl-4-methylhexan-2-one;ethylphosphane;methanamine
SMILESC1CC1.CC.CC.CCC(=O)NC(C(N)=O)c1ccccc1.CCC(C)(C)COC(C)=O.CCC(C)C(C)C(=O)C(C)=O.CCC(C)C(CC)C(C)=O.CCCCC(C(C)=O)C1CCCCC1.CCP.CN
InChIInChI=1S/C13H24O.C11H14N2O2.C9H16O2.C9H18O.C8H16O2.C3H6.C2H7P.2C2H6.CH5N/c1-3-4-10-13(11(2)14)12-8-6-5-7-9-12;1-2-9(14)13-10(11(12)15)8-6-4-3-5-7-8;1-5-6(2)7(3)9(11)8(4)10;1-5-7(3)9(6-2)8(4)10;1-5-8(3,4)6-10-7(2)9;1-2-3-1;1-2-3;3*1-2/h12-13H,3-10H2,1-2H3;3-7,10H,2H2,1H3,(H2,12,15)(H,13,14);6-7H,5H2,1-4H3;7,9H,5-6H2,1-4H3;5-6H2,1-4H3;1-3H2;2-3H2,1H3;2*1-2H3;2H2,1H3
InChIKeyOAHFNISPXJKITL-UHFFFAOYSA-N
MW1040.59 g/mol
LogP14.84
Rot. Bonds20

About N-(2-amino-2-oxo-1-phenylethyl)propanamide;3-cyclohexylheptan-2-one;cyclopropane;2,2-dimethylbutyl acetate;4,5-dimethylheptane-2,3-dione;ethane;3-ethyl-4-methylhexan-2-one;ethylphosphane;methanamine

N-(2-amino-2-oxo-1-phenylethyl)propanamide;3-cyclohexylheptan-2-one;cyclopropane;2,2-dimethylbutyl acetate;4,5-dimethylheptane-2,3-dione;ethane;3-ethyl-4-methylhexan-2-one;ethylphosphane;methanamine (PubChem CID 143355975) has the molecular formula C60H118N3O8P and a molecular weight of 1040.59 g/mol. Its IUPAC name is N-(2-amino-2-oxo-1-phenylethyl)propanamide;3-cyclohexylheptan-2-one;cyclopropane;2,2-dimethylbutyl acetate;4,5-dimethylheptane-2,3-dione;ethane;3-ethyl-4-methylhexan-2-one;ethylphosphane;methanamine.

Molecular Properties

Compound NameN-(2-amino-2-oxo-1-phenylethyl)propanamide;3-cyclohexylheptan-2-one;cyclopropane;2,2-dimethylbutyl acetate;4,5-dimethylheptane-2,3-dione;ethane;3-ethyl-4-methylhexan-2-one;ethylphosphane;methanamine
PubChem CID143355975
Molecular FormulaC60H118N3O8P
Molecular Weight1040.59 g/mol
Exact Mass1039.87
IUPAC NameN-(2-amino-2-oxo-1-phenylethyl)propanamide;3-cyclohexylheptan-2-one;cyclopropane;2,2-dimethylbutyl acetate;4,5-dimethylheptane-2,3-dione;ethane;3-ethyl-4-methylhexan-2-one;ethylphosphane;methanamine
SMILESC1CC1.CC.CC.CCC(=O)NC(C(N)=O)c1ccccc1.CCC(C)(C)COC(C)=O.CCC(C)C(C)C(=O)C(C)=O.CCC(C)C(CC)C(C)=O.CCCCC(C(C)=O)C1CCCCC1.CCP.CN
InChIInChI=1S/C13H24O.C11H14N2O2.C9H16O2.C9H18O.C8H16O2.C3H6.C2H7P.2C2H6.CH5N/c1-3-4-10-13(11(2)14)12-8-6-5-7-9-12;1-2-9(14)13-10(11(12)15)8-6-4-3-5-7-8;1-5-6(2)7(3)9(11)8(4)10;1-5-7(3)9(6-2)8(4)10;1-5-8(3,4)6-10-7(2)9;1-2-3-1;1-2-3;3*1-2/h12-13H,3-10H2,1-2H3;3-7,10H,2H2,1H3,(H2,12,15)(H,13,14);6-7H,5H2,1-4H3;7,9H,5-6H2,1-4H3;5-6H2,1-4H3;1-3H2;2-3H2,1H3;2*1-2H3;2H2,1H3
InChIKeyOAHFNISPXJKITL-UHFFFAOYSA-N
XLogP14.84
TPSA192.79 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001040.59
LogP ≤ 514.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)propanamide;3-cyclohexylheptan-2-one;cyclopropane;2,2-dimethylbutyl acetate;4,5-dimethylheptane-2,3-dione;ethane;3-ethyl-4-methylhexan-2-one;ethylphosphane;methanamine?
The IUPAC name of N-(2-amino-2-oxo-1-phenylethyl)propanamide;3-cyclohexylheptan-2-one;cyclopropane;2,2-dimethylbutyl acetate;4,5-dimethylheptane-2,3-dione;ethane;3-ethyl-4-methylhexan-2-one;ethylphosphane;methanamine (CID 143355975) is N-(2-amino-2-oxo-1-phenylethyl)propanamide;3-cyclohexylheptan-2-one;cyclopropane;2,2-dimethylbutyl acetate;4,5-dimethylheptane-2,3-dione;ethane;3-ethyl-4-methylhexan-2-one;ethylphosphane;methanamine.
What is the SMILES notation for N-(2-amino-2-oxo-1-phenylethyl)propanamide;3-cyclohexylheptan-2-one;cyclopropane;2,2-dimethylbutyl acetate;4,5-dimethylheptane-2,3-dione;ethane;3-ethyl-4-methylhexan-2-one;ethylphosphane;methanamine?
The canonical SMILES for N-(2-amino-2-oxo-1-phenylethyl)propanamide;3-cyclohexylheptan-2-one;cyclopropane;2,2-dimethylbutyl acetate;4,5-dimethylheptane-2,3-dione;ethane;3-ethyl-4-methylhexan-2-one;ethylphosphane;methanamine is C1CC1.CC.CC.CCC(=O)NC(C(N)=O)c1ccccc1.CCC(C)(C)COC(C)=O.CCC(C)C(C)C(=O)C(C)=O.CCC(C)C(CC)C(C)=O.CCCCC(C(C)=O)C1CCCCC1.CCP.CN.
What is the InChIKey of N-(2-amino-2-oxo-1-phenylethyl)propanamide;3-cyclohexylheptan-2-one;cyclopropane;2,2-dimethylbutyl acetate;4,5-dimethylheptane-2,3-dione;ethane;3-ethyl-4-methylhexan-2-one;ethylphosphane;methanamine?
The InChIKey is OAHFNISPXJKITL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O.C11H14N2O2.C9H16O2.C9H18O.C8H16O2.C3H6.C2H7P.2C2H6.CH5N/c1-3-4-10-13(11(2)14)12-8-6-5-7-9-12;1-2-9(14)13-10(11(12)15)8-6-4-3-5-7-8;1-5-6(2)7(3)9(11)8(4)10;1-5-7(3)9(6-2)8(4)10;1-5-8(3,4)6-10-7(2)9;1-2-3-1;1-2-3;3*1-2/h12-13H,3-10H2,1-2H3;3-7,10H,2H2,1H3,(H2,12,15)(H,13,14);6-7H,5H2,1-4H3;7,9H,5-6H2,1-4H3;5-6H2,1-4H3;1-3H2;2-3H2,1H3;2*1-2H3;2H2,1H3.
What are the key properties of N-(2-amino-2-oxo-1-phenylethyl)propanamide;3-cyclohexylheptan-2-one;cyclopropane;2,2-dimethylbutyl acetate;4,5-dimethylheptane-2,3-dione;ethane;3-ethyl-4-methylhexan-2-one;ethylphosphane;methanamine?
N-(2-amino-2-oxo-1-phenylethyl)propanamide;3-cyclohexylheptan-2-one;cyclopropane;2,2-dimethylbutyl acetate;4,5-dimethylheptane-2,3-dione;ethane;3-ethyl-4-methylhexan-2-one;ethylphosphane;methanamine has a molecular weight of 1040.59 g/mol, XLogP of 14.84, 20 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxo-1-phenylethyl)propanamide;3-cyclohexylheptan-2-one;cyclopropane;2,2-dimethylbutyl acetate;4,5-dimethylheptane-2,3-dione;ethane;3-ethyl-4-methylhexan-2-one;ethylphosphane;methanamine is sourced from PubChem (CID 143355975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).