N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]cyclopropanecarboxamide

C18H27N3O2 — CID 120649533

IUPACN-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESNCCCN(Cc1ccccc1)C(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C18H27N3O2/c19-11-5-13-21(14-15-6-2-1-3-7-15)17(22)8-4-12-20-18(23)16-9-10-16/h1-3,6-7,16H,4-5,8-14,19H2,(H,20,23)
InChIKeyALGZMUAMLLAIBC-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.67
Rot. Bonds10

About N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]cyclopropanecarboxamide

N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 120649533) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]cyclopropanecarboxamide
PubChem CID120649533
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]cyclopropanecarboxamide
SMILESNCCCN(Cc1ccccc1)C(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C18H27N3O2/c19-11-5-13-21(14-15-6-2-1-3-7-15)17(22)8-4-12-20-18(23)16-9-10-16/h1-3,6-7,16H,4-5,8-14,19H2,(H,20,23)
InChIKeyALGZMUAMLLAIBC-UHFFFAOYSA-N
XLogP1.67
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]-4-fluorobenzamide
CID 120649087
N-(3-aminopropyl)-N-benzylhexanamide
CID 107366146
4-amino-N-benzyl-N-propylbutanamide
CID 43588666
N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 120648959
N-(3-aminopropyl)-N-benzyl-3-(oxan-4-yloxy)propanamide
CID 120648101
N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N-[3-[3-aminopropyl(benzyl)amino]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 120648958
N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119406896
benzyl-[2-(piperidine-4-carbonylamino)ethyl]carbamic acid
CID 67218488
N-(3-aminopropyl)-N-benzyloxane-4-carboxamide
CID 107366082
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]cyclopropanecarboxamide (CID 120649533) is N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]cyclopropanecarboxamide is NCCCN(Cc1ccccc1)C(=O)CCCNC(=O)C1CC1.
What is the InChIKey of N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is ALGZMUAMLLAIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c19-11-5-13-21(14-15-6-2-1-3-7-15)17(22)8-4-12-20-18(23)16-9-10-16/h1-3,6-7,16H,4-5,8-14,19H2,(H,20,23).
What are the key properties of N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]cyclopropanecarboxamide?
N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 317.43 g/mol, XLogP of 1.67, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-aminopropyl(benzyl)amino]-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 120649533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).