N-(2-amino-2-oxoethyl)-N-butyl-1-cyanocyclopropane-1-carboxamide

C11H17N3O2 — CID 80598509

IUPACN-(2-amino-2-oxoethyl)-N-butyl-1-cyanocyclopropane-1-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)C1(C#N)CC1
InChIInChI=1S/C11H17N3O2/c1-2-3-6-14(7-9(13)15)10(16)11(8-12)4-5-11/h2-7H2,1H3,(H2,13,15)
InChIKeyKLIAVRXBTTWHQV-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.40
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-butyl-1-cyanocyclopropane-1-carboxamide

N-(2-amino-2-oxoethyl)-N-butyl-1-cyanocyclopropane-1-carboxamide (PubChem CID 80598509) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-butyl-1-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-butyl-1-cyanocyclopropane-1-carboxamide
PubChem CID80598509
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-(2-amino-2-oxoethyl)-N-butyl-1-cyanocyclopropane-1-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)C1(C#N)CC1
InChIInChI=1S/C11H17N3O2/c1-2-3-6-14(7-9(13)15)10(16)11(8-12)4-5-11/h2-7H2,1H3,(H2,13,15)
InChIKeyKLIAVRXBTTWHQV-UHFFFAOYSA-N
XLogP0.40
TPSA87.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-amino-2-oxoethyl)-1-cyanocyclobutane-1-carboxamide
CID 80591690
2-[(1-cyanocyclopentanecarbonyl)-propylamino]acetic acid
CID 120613726
1-cyano-N,N-dipropylcyclopentane-1-carboxamide
CID 60719042
N-butyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide
CID 80502268
1-cyano-N-methyl-N-propylcyclopropane-1-carboxamide
CID 80598123
1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide
CID 80598252
1-cyano-N,N-diethylcyclopentane-1-carboxamide
CID 60678242
1-cyano-N-ethyl-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 80599346
1-cyano-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
CID 102978850
1-cyano-N,N-diethylcyclohexane-1-carboxamide
CID 61459029
2-[(2-amino-2-oxoethyl)-(dibutylcarbamoyl)amino]acetic acid
CID 107437530
1-amino-N,N-dipentylcyclopropane-1-carboxamide
CID 65463625

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-1-cyanocyclopropane-1-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-1-cyanocyclopropane-1-carboxamide (CID 80598509) is N-(2-amino-2-oxoethyl)-N-butyl-1-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-butyl-1-cyanocyclopropane-1-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-butyl-1-cyanocyclopropane-1-carboxamide is CCCCN(CC(N)=O)C(=O)C1(C#N)CC1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-butyl-1-cyanocyclopropane-1-carboxamide?
The InChIKey is KLIAVRXBTTWHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-3-6-14(7-9(13)15)10(16)11(8-12)4-5-11/h2-7H2,1H3,(H2,13,15).
What are the key properties of N-(2-amino-2-oxoethyl)-N-butyl-1-cyanocyclopropane-1-carboxamide?
N-(2-amino-2-oxoethyl)-N-butyl-1-cyanocyclopropane-1-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-butyl-1-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 80598509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).