3-[cycloheptyl(methyl)amino]-N-(2-phenylphenyl)propanamide

C23H30N2O — CID 55482831

IUPAC3-[cycloheptyl(methyl)amino]-N-(2-phenylphenyl)propanamide
SMILESCN(CCC(=O)Nc1ccccc1-c1ccccc1)C1CCCCCC1
InChIInChI=1S/C23H30N2O/c1-25(20-13-7-2-3-8-14-20)18-17-23(26)24-22-16-10-9-15-21(22)19-11-5-4-6-12-19/h4-6,9-12,15-16,20H,2-3,7-8,13-14,17-18H2,1H3,(H,24,26)
InChIKeyWFVIQWPUZGTWDC-UHFFFAOYSA-N
MW350.51 g/mol
LogP5.34
Rot. Bonds6

About 3-[cycloheptyl(methyl)amino]-N-(2-phenylphenyl)propanamide

3-[cycloheptyl(methyl)amino]-N-(2-phenylphenyl)propanamide (PubChem CID 55482831) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 3-[cycloheptyl(methyl)amino]-N-(2-phenylphenyl)propanamide.

Molecular Properties

Compound Name3-[cycloheptyl(methyl)amino]-N-(2-phenylphenyl)propanamide
PubChem CID55482831
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name3-[cycloheptyl(methyl)amino]-N-(2-phenylphenyl)propanamide
SMILESCN(CCC(=O)Nc1ccccc1-c1ccccc1)C1CCCCCC1
InChIInChI=1S/C23H30N2O/c1-25(20-13-7-2-3-8-14-20)18-17-23(26)24-22-16-10-9-15-21(22)19-11-5-4-6-12-19/h4-6,9-12,15-16,20H,2-3,7-8,13-14,17-18H2,1H3,(H,24,26)
InChIKeyWFVIQWPUZGTWDC-UHFFFAOYSA-N
XLogP5.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.51
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-N-(2-phenylphenyl)acetamide
CID 1317156
N-(2-aminophenyl)-4-[cyclohexyl(methyl)amino]butanamide
CID 16794531
N-[2-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(2-phenylphenoxy)acetamide
CID 4838958
3-[cyclododecyl(methyl)amino]propanoic acid
CID 65063573
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
3-[(4-aminocyclohexyl)-methylamino]-N-(2-chlorophenyl)propanamide
CID 79112697
N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide
CID 43266810
N-[4-(aminomethyl)phenyl]-3-[cyclohexyl(methyl)amino]propanamide
CID 16780915
[2-oxo-2-(2-phenylanilino)ethyl] cyclopentanecarboxylate
CID 8019936
[(1S,2S)-2-methylcyclohexyl]-[2-oxo-2-(2-phenylanilino)ethyl]azanium
CID 6951801
3-[ethyl(2-methylprop-2-enyl)amino]-N-(2-phenylphenyl)propanamide
CID 78830866
2-[cyclopentyl(furan-2-ylmethyl)amino]-N-(2-phenylphenyl)acetamide
CID 55837830

Frequently Asked Questions

What is the IUPAC name of 3-[cycloheptyl(methyl)amino]-N-(2-phenylphenyl)propanamide?
The IUPAC name of 3-[cycloheptyl(methyl)amino]-N-(2-phenylphenyl)propanamide (CID 55482831) is 3-[cycloheptyl(methyl)amino]-N-(2-phenylphenyl)propanamide.
What is the SMILES notation for 3-[cycloheptyl(methyl)amino]-N-(2-phenylphenyl)propanamide?
The canonical SMILES for 3-[cycloheptyl(methyl)amino]-N-(2-phenylphenyl)propanamide is CN(CCC(=O)Nc1ccccc1-c1ccccc1)C1CCCCCC1.
What is the InChIKey of 3-[cycloheptyl(methyl)amino]-N-(2-phenylphenyl)propanamide?
The InChIKey is WFVIQWPUZGTWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-25(20-13-7-2-3-8-14-20)18-17-23(26)24-22-16-10-9-15-21(22)19-11-5-4-6-12-19/h4-6,9-12,15-16,20H,2-3,7-8,13-14,17-18H2,1H3,(H,24,26).
What are the key properties of 3-[cycloheptyl(methyl)amino]-N-(2-phenylphenyl)propanamide?
3-[cycloheptyl(methyl)amino]-N-(2-phenylphenyl)propanamide has a molecular weight of 350.51 g/mol, XLogP of 5.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cycloheptyl(methyl)amino]-N-(2-phenylphenyl)propanamide is sourced from PubChem (CID 55482831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).