2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,3-dimethylpentanamide;1-fluoro-4-methylbenzene;1-methyl-2-propan-2-yloxybenzene;N-propylformamide

C32H53FN4O4 — CID 143168646

IUPAC2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,3-dimethylpentanamide;1-fluoro-4-methylbenzene;1-methyl-2-propan-2-yloxybenzene;N-propylformamide
SMILESCCCNC=O.CCNC(=O)CN(C)C(=O)C(N)C(C)CC.Cc1ccc(F)cc1.Cc1ccccc1OC(C)C
InChIInChI=1S/C11H23N3O2.C10H14O.C7H7F.C4H9NO/c1-5-8(3)10(12)11(16)14(4)7-9(15)13-6-2;1-8(2)11-10-7-5-4-6-9(10)3;1-6-2-4-7(8)5-3-6;1-2-3-5-4-6/h8,10H,5-7,12H2,1-4H3,(H,13,15);4-8H,1-3H3;2-5H,1H3;4H,2-3H2,1H3,(H,5,6)
InChIKeyGTSQUHKCMGYZNE-UHFFFAOYSA-N
MW576.80 g/mol
LogP5.01
Rot. Bonds11

About 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,3-dimethylpentanamide;1-fluoro-4-methylbenzene;1-methyl-2-propan-2-yloxybenzene;N-propylformamide

2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,3-dimethylpentanamide;1-fluoro-4-methylbenzene;1-methyl-2-propan-2-yloxybenzene;N-propylformamide (PubChem CID 143168646) has the molecular formula C32H53FN4O4 and a molecular weight of 576.80 g/mol. Its IUPAC name is 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,3-dimethylpentanamide;1-fluoro-4-methylbenzene;1-methyl-2-propan-2-yloxybenzene;N-propylformamide.

Molecular Properties

Compound Name2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,3-dimethylpentanamide;1-fluoro-4-methylbenzene;1-methyl-2-propan-2-yloxybenzene;N-propylformamide
PubChem CID143168646
Molecular FormulaC32H53FN4O4
Molecular Weight576.80 g/mol
Exact Mass576.41
IUPAC Name2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,3-dimethylpentanamide;1-fluoro-4-methylbenzene;1-methyl-2-propan-2-yloxybenzene;N-propylformamide
SMILESCCCNC=O.CCNC(=O)CN(C)C(=O)C(N)C(C)CC.Cc1ccc(F)cc1.Cc1ccccc1OC(C)C
InChIInChI=1S/C11H23N3O2.C10H14O.C7H7F.C4H9NO/c1-5-8(3)10(12)11(16)14(4)7-9(15)13-6-2;1-8(2)11-10-7-5-4-6-9(10)3;1-6-2-4-7(8)5-3-6;1-2-3-5-4-6/h8,10H,5-7,12H2,1-4H3,(H,13,15);4-8H,1-3H3;2-5H,1H3;4H,2-3H2,1H3,(H,5,6)
InChIKeyGTSQUHKCMGYZNE-UHFFFAOYSA-N
XLogP5.01
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.80
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,3-dimethyl-2-(methylamino)-N-[2-oxo-2-(2-oxoethylamino)ethyl]pentanamide;1-ethyl-2-propan-2-yloxybenzene;N-methylpropan-1-amine;toluene
CID 143168437
2-amino-N-(2-anilino-2-oxoethyl)-N,3-dimethylpentanamide
CID 60944981
2-amino-N-[2-(ethylamino)-2-oxoethyl]-N-methyl-2-(4-methylphenyl)acetamide
CID 106151379
(2S,3S)-2-amino-N,3-dimethyl-N-[(2-methylphenyl)methyl]pentanamide
CID 61154727
2-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,3-dimethylpentanamide
CID 54874167
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
2-amino-N-[2-(4-fluorophenoxy)ethyl]-N,3-dimethylpentanamide;hydrochloride
CID 119695322
2-amino-N,3-dimethyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pentanamide;hydrochloride
CID 119697260
(2S,3S)-2-amino-N-[(2-hydroxyphenyl)methyl]-N,3-dimethylpentanamide
CID 61164001
ethyl 2-[methyl-(2-propan-2-yloxybenzoyl)amino]acetate
CID 54785098
N-ethyl-2-(5-fluoro-2-methylphenoxy)propanamide
CID 102990501
(2S)-2-amino-N-[(2,4-difluorophenyl)methyl]-N,3-dimethylpentanamide
CID 61173739

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,3-dimethylpentanamide;1-fluoro-4-methylbenzene;1-methyl-2-propan-2-yloxybenzene;N-propylformamide?
The IUPAC name of 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,3-dimethylpentanamide;1-fluoro-4-methylbenzene;1-methyl-2-propan-2-yloxybenzene;N-propylformamide (CID 143168646) is 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,3-dimethylpentanamide;1-fluoro-4-methylbenzene;1-methyl-2-propan-2-yloxybenzene;N-propylformamide.
What is the SMILES notation for 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,3-dimethylpentanamide;1-fluoro-4-methylbenzene;1-methyl-2-propan-2-yloxybenzene;N-propylformamide?
The canonical SMILES for 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,3-dimethylpentanamide;1-fluoro-4-methylbenzene;1-methyl-2-propan-2-yloxybenzene;N-propylformamide is CCCNC=O.CCNC(=O)CN(C)C(=O)C(N)C(C)CC.Cc1ccc(F)cc1.Cc1ccccc1OC(C)C.
What is the InChIKey of 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,3-dimethylpentanamide;1-fluoro-4-methylbenzene;1-methyl-2-propan-2-yloxybenzene;N-propylformamide?
The InChIKey is GTSQUHKCMGYZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2.C10H14O.C7H7F.C4H9NO/c1-5-8(3)10(12)11(16)14(4)7-9(15)13-6-2;1-8(2)11-10-7-5-4-6-9(10)3;1-6-2-4-7(8)5-3-6;1-2-3-5-4-6/h8,10H,5-7,12H2,1-4H3,(H,13,15);4-8H,1-3H3;2-5H,1H3;4H,2-3H2,1H3,(H,5,6).
What are the key properties of 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,3-dimethylpentanamide;1-fluoro-4-methylbenzene;1-methyl-2-propan-2-yloxybenzene;N-propylformamide?
2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,3-dimethylpentanamide;1-fluoro-4-methylbenzene;1-methyl-2-propan-2-yloxybenzene;N-propylformamide has a molecular weight of 576.80 g/mol, XLogP of 5.01, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(ethylamino)-2-oxoethyl]-N,3-dimethylpentanamide;1-fluoro-4-methylbenzene;1-methyl-2-propan-2-yloxybenzene;N-propylformamide is sourced from PubChem (CID 143168646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).