N-[(4-acetamidophenyl)methyl]-N-[[3-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide

C21H25N3O2 — CID 23880381

IUPACN-[(4-acetamidophenyl)methyl]-N-[[3-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide
SMILESCC(=O)Nc1ccc(CN(Cc2cccc(CN)c2)C(=O)C2CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-15(25)23-20-9-5-16(6-10-20)13-24(21(26)19-7-8-19)14-18-4-2-3-17(11-18)12-22/h2-6,9-11,19H,7-8,12-14,22H2,1H3,(H,23,25)
InChIKeyPDNZRBBAYBKMNC-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.04
Rot. Bonds7

About N-[(4-acetamidophenyl)methyl]-N-[[3-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide

N-[(4-acetamidophenyl)methyl]-N-[[3-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide (PubChem CID 23880381) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-N-[[3-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-N-[[3-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide
PubChem CID23880381
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[(4-acetamidophenyl)methyl]-N-[[3-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide
SMILESCC(=O)Nc1ccc(CN(Cc2cccc(CN)c2)C(=O)C2CC2)cc1
InChIInChI=1S/C21H25N3O2/c1-15(25)23-20-9-5-16(6-10-20)13-24(21(26)19-7-8-19)14-18-4-2-3-17(11-18)12-22/h2-6,9-11,19H,7-8,12-14,22H2,1H3,(H,23,25)
InChIKeyPDNZRBBAYBKMNC-UHFFFAOYSA-N
XLogP3.04
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-acetamidophenyl)methyl]-N-(3-aminopropyl)cyclohexanecarboxamide
CID 23850194
N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclopropanecarbonyl)amino]methyl]phenyl]thiophene-2-carboxamide
CID 23820529
benzyl N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]carbamate
CID 23933477
N-[3-(aminomethyl)phenyl]acetamide;hydrochloride
CID 2760945
N-[[3-(aminomethyl)phenyl]methyl]-N-[[3-[3-[(4-fluorophenyl)carbamoylamino]-4-morpholin-4-ylphenyl]phenyl]methyl]cyclopropanecarboxamide
CID 23825732
N-[4-[[(3-amino-2,2-dimethylpropyl)-(cyclopropanecarbonyl)amino]methyl]phenyl]-4-tert-butylbenzamide
CID 23829184
N-[3-(aminomethyl)phenyl]-N-methylcyclopropanecarboxamide
CID 62970436
1-[[3-(aminomethyl)phenyl]methyl]-1-methyl-3-(4-methylphenyl)urea
CID 43437749
N-(3-aminopropyl)-N-[[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]methyl]cyclopropanecarboxamide
CID 23931480
N-[3-(aminomethyl)phenyl]cyclopropanecarboxamide;hydrochloride
CID 155822223
N,N-bis[(4-fluorophenyl)methyl]cyclopropanecarboxamide
CID 110190860
N-[2-[[[3-(aminomethyl)phenyl]methyl-(cyclohexanecarbonyl)amino]methyl]phenyl]-4-cyanobenzamide
CID 23792446

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-N-[[3-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-N-[[3-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide (CID 23880381) is N-[(4-acetamidophenyl)methyl]-N-[[3-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-N-[[3-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-N-[[3-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide is CC(=O)Nc1ccc(CN(Cc2cccc(CN)c2)C(=O)C2CC2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-N-[[3-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide?
The InChIKey is PDNZRBBAYBKMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15(25)23-20-9-5-16(6-10-20)13-24(21(26)19-7-8-19)14-18-4-2-3-17(11-18)12-22/h2-6,9-11,19H,7-8,12-14,22H2,1H3,(H,23,25).
What are the key properties of N-[(4-acetamidophenyl)methyl]-N-[[3-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide?
N-[(4-acetamidophenyl)methyl]-N-[[3-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide has a molecular weight of 351.45 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-N-[[3-(aminomethyl)phenyl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 23880381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).