3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide

C14H20N2O — CID 110460227

IUPAC3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
SMILESNCCC(=O)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C14H20N2O/c15-10-7-13(17)16-11-14(8-4-9-14)12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,15H2,(H,16,17)
InChIKeyOQMSOSGZERVKTJ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.57
Rot. Bonds5

About 3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide

3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide (PubChem CID 110460227) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
PubChem CID110460227
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
SMILESNCCC(=O)NCC1(c2ccccc2)CCC1
InChIInChI=1S/C14H20N2O/c15-10-7-13(17)16-11-14(8-4-9-14)12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,15H2,(H,16,17)
InChIKeyOQMSOSGZERVKTJ-UHFFFAOYSA-N
XLogP1.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 110460210
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326
[amino-[3-oxo-3-[(1-phenylcyclopentyl)methylamino]propyl]sulfanylmethylidene]azanium
CID 4625533
3-amino-N-[[1-(4-fluorophenyl)cyclopropyl]methyl]propanamide
CID 110478929
3-methoxy-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480493
3-amino-N-[[1-(3-methylphenyl)cyclohexyl]methyl]propanamide
CID 119295111
N-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide
CID 51316447
4-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]butanamide;hydrochloride
CID 119315672
4-amino-3-methoxy-N-[(1-phenylcyclobutyl)methyl]butanamide
CID 120587665
N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]benzamide
CID 46691539
7-amino-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]heptanamide
CID 119769932
1-amino-N-[(1-phenylcyclobutyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119276343

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide?
The IUPAC name of 3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide (CID 110460227) is 3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide.
What is the SMILES notation for 3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide?
The canonical SMILES for 3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide is NCCC(=O)NCC1(c2ccccc2)CCC1.
What is the InChIKey of 3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide?
The InChIKey is OQMSOSGZERVKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-10-7-13(17)16-11-14(8-4-9-14)12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,15H2,(H,16,17).
What are the key properties of 3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide?
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide has a molecular weight of 232.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide is sourced from PubChem (CID 110460227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).