4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide

C18H20N2O — CID 110462616

IUPAC4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
SMILESNc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1
InChIInChI=1S/C18H20N2O/c19-16-9-7-14(8-10-16)17(21)20-13-18(11-4-12-18)15-5-2-1-3-6-15/h1-3,5-10H,4,11-13,19H2,(H,20,21)
InChIKeyYXJIYXAAPAXHQV-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.12
Rot. Bonds4

About 4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide

4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide (PubChem CID 110462616) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
PubChem CID110462616
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
SMILESNc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1
InChIInChI=1S/C18H20N2O/c19-16-9-7-14(8-10-16)17(21)20-13-18(11-4-12-18)15-5-2-1-3-6-15/h1-3,5-10H,4,11-13,19H2,(H,20,21)
InChIKeyYXJIYXAAPAXHQV-UHFFFAOYSA-N
XLogP3.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
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CID 16601996
4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 82546336
N-[2-oxo-2-[(1-phenylcyclobutyl)methylamino]ethyl]benzamide
CID 46691539
4-(cyclopropanecarbonylamino)-N-[(1-phenylcyclobutyl)methyl]benzamide
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4-N-[(4-phenylpiperidin-4-yl)methyl]benzene-1,4-dicarboxamide
CID 20978143
N-[4-oxo-4-[(1-phenylcyclobutyl)methylamino]butyl]benzamide
CID 51316447
N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
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3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
4-(2-methylpropoxy)-N-[(1-phenylcyclopentyl)methyl]benzamide
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CID 16581101

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide?
The IUPAC name of 4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide (CID 110462616) is 4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide.
What is the SMILES notation for 4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide?
The canonical SMILES for 4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide is Nc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1.
What is the InChIKey of 4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide?
The InChIKey is YXJIYXAAPAXHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-16-9-7-14(8-10-16)17(21)20-13-18(11-4-12-18)15-5-2-1-3-6-15/h1-3,5-10H,4,11-13,19H2,(H,20,21).
What are the key properties of 4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide?
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide has a molecular weight of 280.37 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide is sourced from PubChem (CID 110462616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).