N-[2-methyl-1-(3-methylphenyl)propyl]-1-prop-2-enoylazetidine-3-carboxamide

C18H24N2O2 — CID 166420510

IUPACN-[2-methyl-1-(3-methylphenyl)propyl]-1-prop-2-enoylazetidine-3-carboxamide
SMILESC=CC(=O)N1CC(C(=O)NC(c2cccc(C)c2)C(C)C)C1
InChIInChI=1S/C18H24N2O2/c1-5-16(21)20-10-15(11-20)18(22)19-17(12(2)3)14-8-6-7-13(4)9-14/h5-9,12,15,17H,1,10-11H2,2-4H3,(H,19,22)
InChIKeyCPRJWWAJLQGJRP-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.45
Rot. Bonds5

About N-[2-methyl-1-(3-methylphenyl)propyl]-1-prop-2-enoylazetidine-3-carboxamide

N-[2-methyl-1-(3-methylphenyl)propyl]-1-prop-2-enoylazetidine-3-carboxamide (PubChem CID 166420510) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[2-methyl-1-(3-methylphenyl)propyl]-1-prop-2-enoylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-(3-methylphenyl)propyl]-1-prop-2-enoylazetidine-3-carboxamide
PubChem CID166420510
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[2-methyl-1-(3-methylphenyl)propyl]-1-prop-2-enoylazetidine-3-carboxamide
SMILESC=CC(=O)N1CC(C(=O)NC(c2cccc(C)c2)C(C)C)C1
InChIInChI=1S/C18H24N2O2/c1-5-16(21)20-10-15(11-20)18(22)19-17(12(2)3)14-8-6-7-13(4)9-14/h5-9,12,15,17H,1,10-11H2,2-4H3,(H,19,22)
InChIKeyCPRJWWAJLQGJRP-UHFFFAOYSA-N
XLogP2.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-iodophenyl)-1-prop-2-enoylazetidine-3-carboxamide
CID 177358826
N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-1-prop-2-enoylazetidine-3-carboxamide
CID 154877094
(3S)-N-(2-phenylpropyl)-1-prop-2-enoylpiperidine-3-carboxamide
CID 172889923
N-[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-1-prop-2-enoylazetidine-3-carboxamide
CID 166420536
N-[bis(3-methylphenyl)methyl]piperidine-4-carboxamide
CID 119338864
3-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]piperidine-1,3-dicarboxamide
CID 43022867
N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide
CID 51107956
(3S)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 51943392
N-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-1-prop-2-enoylazetidine-3-carboxamide
CID 166420500
4-N-[2-methyl-1-(2-methylphenyl)propyl]-1-N-(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 86939980
1-methyl-N-[(R)-(3-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 99970769
4-(aminomethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 81361448

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-(3-methylphenyl)propyl]-1-prop-2-enoylazetidine-3-carboxamide?
The IUPAC name of N-[2-methyl-1-(3-methylphenyl)propyl]-1-prop-2-enoylazetidine-3-carboxamide (CID 166420510) is N-[2-methyl-1-(3-methylphenyl)propyl]-1-prop-2-enoylazetidine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-1-(3-methylphenyl)propyl]-1-prop-2-enoylazetidine-3-carboxamide?
The canonical SMILES for N-[2-methyl-1-(3-methylphenyl)propyl]-1-prop-2-enoylazetidine-3-carboxamide is C=CC(=O)N1CC(C(=O)NC(c2cccc(C)c2)C(C)C)C1.
What is the InChIKey of N-[2-methyl-1-(3-methylphenyl)propyl]-1-prop-2-enoylazetidine-3-carboxamide?
The InChIKey is CPRJWWAJLQGJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-5-16(21)20-10-15(11-20)18(22)19-17(12(2)3)14-8-6-7-13(4)9-14/h5-9,12,15,17H,1,10-11H2,2-4H3,(H,19,22).
What are the key properties of N-[2-methyl-1-(3-methylphenyl)propyl]-1-prop-2-enoylazetidine-3-carboxamide?
N-[2-methyl-1-(3-methylphenyl)propyl]-1-prop-2-enoylazetidine-3-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-(3-methylphenyl)propyl]-1-prop-2-enoylazetidine-3-carboxamide is sourced from PubChem (CID 166420510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).