1-acetyl-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-methylbenzoyl)imidazolidine-2-carboxamide

C22H26N4O3 — CID 23797254

IUPAC1-acetyl-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-methylbenzoyl)imidazolidine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cccc(C)c2)C1C(=O)NCc1cccc(CN)c1
InChIInChI=1S/C22H26N4O3/c1-15-5-3-8-19(11-15)22(29)26-10-9-25(16(2)27)21(26)20(28)24-14-18-7-4-6-17(12-18)13-23/h3-8,11-12,21H,9-10,13-14,23H2,1-2H3,(H,24,28)
InChIKeyRAKHAZGZAPBQHR-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.40
Rot. Bonds5

About 1-acetyl-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-methylbenzoyl)imidazolidine-2-carboxamide

1-acetyl-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-methylbenzoyl)imidazolidine-2-carboxamide (PubChem CID 23797254) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-acetyl-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-methylbenzoyl)imidazolidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-methylbenzoyl)imidazolidine-2-carboxamide
PubChem CID23797254
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name1-acetyl-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-methylbenzoyl)imidazolidine-2-carboxamide
SMILESCC(=O)N1CCN(C(=O)c2cccc(C)c2)C1C(=O)NCc1cccc(CN)c1
InChIInChI=1S/C22H26N4O3/c1-15-5-3-8-19(11-15)22(29)26-10-9-25(16(2)27)21(26)20(28)24-14-18-7-4-6-17(12-18)13-23/h3-8,11-12,21H,9-10,13-14,23H2,1-2H3,(H,24,28)
InChIKeyRAKHAZGZAPBQHR-UHFFFAOYSA-N
XLogP1.40
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(aminomethyl)phenyl]methyl]-1-(3-methylbenzoyl)-3-(5-nitrofuran-2-carbonyl)imidazolidine-2-carboxamide
CID 23734786
N-[[3-(aminomethyl)phenyl]methyl]-1-(3-methylbenzoyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-2-carboxamide
CID 23829091
N-[[3-(aminomethyl)phenyl]methyl]-1-(3-fluorobenzoyl)-3-(4-fluorobenzoyl)imidazolidine-2-carboxamide
CID 23996818
2-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-fluorobenzoyl)-1-N-(4-methylphenyl)imidazolidine-1,2-dicarboxamide
CID 23735131
2-N-[[3-(aminomethyl)phenyl]methyl]-3-(4-tert-butylbenzoyl)-1-N-(3-methylphenyl)imidazolidine-1,2-dicarboxamide
CID 23853637
N-[[3-(aminomethyl)phenyl]methyl]-1-(6-chloropyridine-3-carbonyl)-3-(4-methylbenzoyl)imidazolidine-2-carboxamide
CID 23937900
phenyl 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(3-methoxybenzoyl)imidazolidine-1-carboxylate
CID 23968268
N-[[3-(aminomethyl)phenyl]methyl]-1-(4-tert-butylbenzoyl)-3-(3-methoxybenzoyl)imidazolidine-2-carboxamide
CID 23821587
N-[[3-(aminomethyl)phenyl]methyl]-1-(3,5-difluorobenzoyl)-3-(pyridine-4-carbonyl)imidazolidine-2-carboxamide
CID 23963930
N-[[3-(aminomethyl)phenyl]methyl]-1-(3-fluorobenzoyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-2-carboxamide
CID 23828601
2-N-[[3-(aminomethyl)phenyl]methyl]-1-N-(3-methylphenyl)-3-propylsulfonylimidazolidine-1,2-dicarboxamide
CID 23797114
N-(2-aminoethyl)-1-(cyclohexanecarbonyl)-3-(3-methylbenzoyl)-1,3-diazinane-2-carboxamide
CID 23958826

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-methylbenzoyl)imidazolidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-methylbenzoyl)imidazolidine-2-carboxamide (CID 23797254) is 1-acetyl-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-methylbenzoyl)imidazolidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-methylbenzoyl)imidazolidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-methylbenzoyl)imidazolidine-2-carboxamide is CC(=O)N1CCN(C(=O)c2cccc(C)c2)C1C(=O)NCc1cccc(CN)c1.
What is the InChIKey of 1-acetyl-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-methylbenzoyl)imidazolidine-2-carboxamide?
The InChIKey is RAKHAZGZAPBQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15-5-3-8-19(11-15)22(29)26-10-9-25(16(2)27)21(26)20(28)24-14-18-7-4-6-17(12-18)13-23/h3-8,11-12,21H,9-10,13-14,23H2,1-2H3,(H,24,28).
What are the key properties of 1-acetyl-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-methylbenzoyl)imidazolidine-2-carboxamide?
1-acetyl-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-methylbenzoyl)imidazolidine-2-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[[3-(aminomethyl)phenyl]methyl]-3-(3-methylbenzoyl)imidazolidine-2-carboxamide is sourced from PubChem (CID 23797254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).