N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide

C12H22N2O2 — CID 3067803

IUPACN-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide
SMILESCCCCNC(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C12H22N2O2/c1-2-3-8-13-11(15)5-4-9-14-12(16)10-6-7-10/h10H,2-9H2,1H3,(H,13,15)(H,14,16)
InChIKeyIEFFKQHRPWXWGU-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.21
Rot. Bonds8

About N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide

N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide (PubChem CID 3067803) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide
PubChem CID3067803
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide
SMILESCCCCNC(=O)CCCNC(=O)C1CC1
InChIInChI=1S/C12H22N2O2/c1-2-3-8-13-11(15)5-4-9-14-12(16)10-6-7-10/h10H,2-9H2,1H3,(H,13,15)(H,14,16)
InChIKeyIEFFKQHRPWXWGU-UHFFFAOYSA-N
XLogP1.21
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(cyclopropanecarbonylamino)butanoylamino]acetic acid
CID 115596329
N-[4-[(2-amino-2-ethylbutyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 119641529
2-[4-(cyclopropanecarbonylamino)butanoylamino]butanoic acid
CID 119224160
(2R)-2-[4-(cyclopropanecarbonylamino)butanoylamino]propanoic acid
CID 119244617
N-[4-(cyclopropylamino)-4-oxobutyl]cyclopropanecarboxamide
CID 84505349
N-butyl-1-formylpiperidine-4-carboxamide
CID 64992513
N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 166944629
N-[2-(7-aminoheptanoylamino)ethyl]cyclopropanecarboxamide
CID 115738007
ethane;N-octylhexanamide
CID 177149935
ethane;N'-heptyl-N-hexylpentanediamide
CID 154688673
ethane;N-heptylhexadecanamide
CID 142440540
N-[4-[3-(aminomethyl)pentan-3-ylamino]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride
CID 119570151

Frequently Asked Questions

What is the IUPAC name of N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide (CID 3067803) is N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide is CCCCNC(=O)CCCNC(=O)C1CC1.
What is the InChIKey of N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide?
The InChIKey is IEFFKQHRPWXWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-2-3-8-13-11(15)5-4-9-14-12(16)10-6-7-10/h10H,2-9H2,1H3,(H,13,15)(H,14,16).
What are the key properties of N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide?
N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.21, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(butylamino)-4-oxobutyl]cyclopropanecarboxamide is sourced from PubChem (CID 3067803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).