4-[[4-(aminomethyl)phenyl]carbamoylamino]-N-cyclopropylbutanamide

C15H22N4O2 — CID 79382010

IUPAC4-[[4-(aminomethyl)phenyl]carbamoylamino]-N-cyclopropylbutanamide
SMILESNCc1ccc(NC(=O)NCCCC(=O)NC2CC2)cc1
InChIInChI=1S/C15H22N4O2/c16-10-11-3-5-13(6-4-11)19-15(21)17-9-1-2-14(20)18-12-7-8-12/h3-6,12H,1-2,7-10,16H2,(H,18,20)(H2,17,19,21)
InChIKeyPPAADLDXJOKMDK-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.33
Rot. Bonds7

About 4-[[4-(aminomethyl)phenyl]carbamoylamino]-N-cyclopropylbutanamide

4-[[4-(aminomethyl)phenyl]carbamoylamino]-N-cyclopropylbutanamide (PubChem CID 79382010) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-[[4-(aminomethyl)phenyl]carbamoylamino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[[4-(aminomethyl)phenyl]carbamoylamino]-N-cyclopropylbutanamide
PubChem CID79382010
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name4-[[4-(aminomethyl)phenyl]carbamoylamino]-N-cyclopropylbutanamide
SMILESNCc1ccc(NC(=O)NCCCC(=O)NC2CC2)cc1
InChIInChI=1S/C15H22N4O2/c16-10-11-3-5-13(6-4-11)19-15(21)17-9-1-2-14(20)18-12-7-8-12/h3-6,12H,1-2,7-10,16H2,(H,18,20)(H2,17,19,21)
InChIKeyPPAADLDXJOKMDK-UHFFFAOYSA-N
XLogP1.33
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[4-(aminomethyl)phenyl]carbamoylamino]pentanamide
CID 106238546
N-cyclopropyl-2-[4-(2-pyridin-4-ylethylcarbamoylamino)phenyl]acetamide
CID 72895769
N-cyclopropyl-4-(methylcarbamoylamino)butanamide
CID 115582642
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
ethyl N-[4-[4-(aminomethyl)anilino]-4-oxobutyl]carbamate
CID 163196881
N-[[4-(butanoylamino)phenyl]methyl]-4-(cyclohexylcarbamoylamino)butanamide
CID 60515741
1-[4-(aminomethyl)phenyl]-3-(3-methylbutyl)urea
CID 43132978
N-cyclopropyl-4-[(4-ethylphenyl)methylamino]butanamide
CID 78922158
N-cyclopropyl-4-[[N'-[(4-methylphenyl)methyl]-N-phenylcarbamimidoyl]amino]butanamide
CID 111066149
N-cyclopropyl-4-(3,4-diaminoanilino)butanamide
CID 106750979
4-[[[4-(cyclopropylamino)-4-oxobutyl]amino]methyl]benzoic acid
CID 79394418
4-[(2-anilinoacetyl)amino]-N-cyclopropylbutanamide
CID 79401604

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(aminomethyl)phenyl]carbamoylamino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[[4-(aminomethyl)phenyl]carbamoylamino]-N-cyclopropylbutanamide (CID 79382010) is 4-[[4-(aminomethyl)phenyl]carbamoylamino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[[4-(aminomethyl)phenyl]carbamoylamino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[[4-(aminomethyl)phenyl]carbamoylamino]-N-cyclopropylbutanamide is NCc1ccc(NC(=O)NCCCC(=O)NC2CC2)cc1.
What is the InChIKey of 4-[[4-(aminomethyl)phenyl]carbamoylamino]-N-cyclopropylbutanamide?
The InChIKey is PPAADLDXJOKMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c16-10-11-3-5-13(6-4-11)19-15(21)17-9-1-2-14(20)18-12-7-8-12/h3-6,12H,1-2,7-10,16H2,(H,18,20)(H2,17,19,21).
What are the key properties of 4-[[4-(aminomethyl)phenyl]carbamoylamino]-N-cyclopropylbutanamide?
4-[[4-(aminomethyl)phenyl]carbamoylamino]-N-cyclopropylbutanamide has a molecular weight of 290.37 g/mol, XLogP of 1.33, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(aminomethyl)phenyl]carbamoylamino]-N-cyclopropylbutanamide is sourced from PubChem (CID 79382010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).