3-[[(3-phenylcyclobutyl)amino]methyl]benzamide

C18H20N2O — CID 43664689

IUPAC3-[[(3-phenylcyclobutyl)amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNC2CC(c3ccccc3)C2)c1
InChIInChI=1S/C18H20N2O/c19-18(21)15-8-4-5-13(9-15)12-20-17-10-16(11-17)14-6-2-1-3-7-14/h1-9,16-17,20H,10-12H2,(H2,19,21)
InChIKeyMFBUVLGHARCDDM-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.82
Rot. Bonds5

About 3-[[(3-phenylcyclobutyl)amino]methyl]benzamide

3-[[(3-phenylcyclobutyl)amino]methyl]benzamide (PubChem CID 43664689) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-[[(3-phenylcyclobutyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(3-phenylcyclobutyl)amino]methyl]benzamide
PubChem CID43664689
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-[[(3-phenylcyclobutyl)amino]methyl]benzamide
SMILESNC(=O)c1cccc(CNC2CC(c3ccccc3)C2)c1
InChIInChI=1S/C18H20N2O/c19-18(21)15-8-4-5-13(9-15)12-20-17-10-16(11-17)14-6-2-1-3-7-14/h1-9,16-17,20H,10-12H2,(H2,19,21)
InChIKeyMFBUVLGHARCDDM-UHFFFAOYSA-N
XLogP2.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide
CID 62998980
N-[(3-methylphenyl)methyl]-3-phenylcyclobutan-1-amine
CID 43632228
3-[[[3-(3-methoxyphenyl)cyclobutyl]amino]methyl]benzoic acid
CID 122035121
3-[(thiolan-3-ylamino)methyl]benzamide
CID 43664732
3-[(oxolan-3-ylamino)methyl]benzamide
CID 63332008
3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide
CID 63277160
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide
CID 60977331
3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide
CID 78921069
3-[[(2-methylcyclopentyl)amino]methyl]benzamide
CID 63277760
3-(2-phenylcyclopropyl)benzamide
CID 144684573
3-(3-methylphenyl)-N-[(3-methylphenyl)methyl]cyclobutan-1-amine
CID 43634409

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-phenylcyclobutyl)amino]methyl]benzamide?
The IUPAC name of 3-[[(3-phenylcyclobutyl)amino]methyl]benzamide (CID 43664689) is 3-[[(3-phenylcyclobutyl)amino]methyl]benzamide.
What is the SMILES notation for 3-[[(3-phenylcyclobutyl)amino]methyl]benzamide?
The canonical SMILES for 3-[[(3-phenylcyclobutyl)amino]methyl]benzamide is NC(=O)c1cccc(CNC2CC(c3ccccc3)C2)c1.
What is the InChIKey of 3-[[(3-phenylcyclobutyl)amino]methyl]benzamide?
The InChIKey is MFBUVLGHARCDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c19-18(21)15-8-4-5-13(9-15)12-20-17-10-16(11-17)14-6-2-1-3-7-14/h1-9,16-17,20H,10-12H2,(H2,19,21).
What are the key properties of 3-[[(3-phenylcyclobutyl)amino]methyl]benzamide?
3-[[(3-phenylcyclobutyl)amino]methyl]benzamide has a molecular weight of 280.37 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-phenylcyclobutyl)amino]methyl]benzamide is sourced from PubChem (CID 43664689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).