3-[(3-cyano-3-phenylcyclobutyl)amino]propanamide

C14H17N3O — CID 64905863

IUPAC3-[(3-cyano-3-phenylcyclobutyl)amino]propanamide
SMILESN#CC1(c2ccccc2)CC(NCCC(N)=O)C1
InChIInChI=1S/C14H17N3O/c15-10-14(11-4-2-1-3-5-11)8-12(9-14)17-7-6-13(16)18/h1-5,12,17H,6-9H2,(H2,16,18)
InChIKeyWBLAPAKXVBFYSO-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.08
Rot. Bonds5

About 3-[(3-cyano-3-phenylcyclobutyl)amino]propanamide

3-[(3-cyano-3-phenylcyclobutyl)amino]propanamide (PubChem CID 64905863) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-[(3-cyano-3-phenylcyclobutyl)amino]propanamide.

Molecular Properties

Compound Name3-[(3-cyano-3-phenylcyclobutyl)amino]propanamide
PubChem CID64905863
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-[(3-cyano-3-phenylcyclobutyl)amino]propanamide
SMILESN#CC1(c2ccccc2)CC(NCCC(N)=O)C1
InChIInChI=1S/C14H17N3O/c15-10-14(11-4-2-1-3-5-11)8-12(9-14)17-7-6-13(16)18/h1-5,12,17H,6-9H2,(H2,16,18)
InChIKeyWBLAPAKXVBFYSO-UHFFFAOYSA-N
XLogP1.08
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-cyano-3-phenylcyclobutyl)amino]butanamide
CID 64906287
4-[(3-cyano-3-phenylcyclobutyl)amino]butanoic acid
CID 64905866
3-(4-hydroxybutylamino)-1-phenylcyclobutane-1-carbonitrile
CID 106840979
3-(4-hydroxypentylamino)-1-phenylcyclobutane-1-carbonitrile
CID 107270220
3-(butylamino)-1-phenylcyclobutane-1-carbonitrile
CID 64905853
3-[2-(2-methoxyethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile
CID 64904853
3-(3-methoxypropylamino)-1-phenylcyclobutane-1-carbonitrile
CID 64904843
3-(hydroxyamino)-1-phenylcyclobutane-1-carbonitrile
CID 82684802
3-(2-methylpropylamino)-1-phenylcyclobutane-1-carbonitrile
CID 64904409
3-(2,2-dimethylpropylamino)-1-phenylcyclobutane-1-carbonitrile
CID 64905056
3-(but-2-ynylamino)-1-phenylcyclobutane-1-carbonitrile
CID 113464533
3-[2-(cyclopropylmethoxy)ethylamino]-1-phenylcyclobutane-1-carbonitrile
CID 102612701

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyano-3-phenylcyclobutyl)amino]propanamide?
The IUPAC name of 3-[(3-cyano-3-phenylcyclobutyl)amino]propanamide (CID 64905863) is 3-[(3-cyano-3-phenylcyclobutyl)amino]propanamide.
What is the SMILES notation for 3-[(3-cyano-3-phenylcyclobutyl)amino]propanamide?
The canonical SMILES for 3-[(3-cyano-3-phenylcyclobutyl)amino]propanamide is N#CC1(c2ccccc2)CC(NCCC(N)=O)C1.
What is the InChIKey of 3-[(3-cyano-3-phenylcyclobutyl)amino]propanamide?
The InChIKey is WBLAPAKXVBFYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-10-14(11-4-2-1-3-5-11)8-12(9-14)17-7-6-13(16)18/h1-5,12,17H,6-9H2,(H2,16,18).
What are the key properties of 3-[(3-cyano-3-phenylcyclobutyl)amino]propanamide?
3-[(3-cyano-3-phenylcyclobutyl)amino]propanamide has a molecular weight of 243.31 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyano-3-phenylcyclobutyl)amino]propanamide is sourced from PubChem (CID 64905863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).