N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide

C23H28N2O2 — CID 2547647

IUPACN-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NC1CCCCCC1
InChIInChI=1S/C23H28N2O2/c26-22(24-20-15-9-1-2-10-16-20)17-21(18-11-5-3-6-12-18)25-23(27)19-13-7-4-8-14-19/h3-8,11-14,20-21H,1-2,9-10,15-17H2,(H,24,26)(H,25,27)/t21-/m1/s1
InChIKeyNMJJSNIOCDVOON-OAQYLSRUSA-N
MW364.49 g/mol
LogP4.39
Rot. Bonds6

About N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide

N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide (PubChem CID 2547647) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound NameN-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
PubChem CID2547647
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NC1CCCCCC1
InChIInChI=1S/C23H28N2O2/c26-22(24-20-15-9-1-2-10-16-20)17-21(18-11-5-3-6-12-18)25-23(27)19-13-7-4-8-14-19/h3-8,11-14,20-21H,1-2,9-10,15-17H2,(H,24,26)(H,25,27)/t21-/m1/s1
InChIKeyNMJJSNIOCDVOON-OAQYLSRUSA-N
XLogP4.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[(1S)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 7688761
N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide
CID 39963895
N-[(1S)-3-oxo-1-phenyl-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propyl]benzamide
CID 95271231
N-[3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 55518864
N-[3-[(2,3-dimethylcyclohexyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 56827734
N-[(1R)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 124732495
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607
[1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-benzamido-3-phenylpropanoate
CID 42970740
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
3-benzamido-3-phenylpropanoic acid
CID 2834576
2-[(3-benzamido-3-phenylpropanoyl)amino]-2-cyclopropylacetic acid
CID 119213741
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-benzamido-3-phenylpropanoate
CID 46825007

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide (CID 2547647) is N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide is O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NC1CCCCCC1.
What is the InChIKey of N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is NMJJSNIOCDVOON-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H28N2O2/c26-22(24-20-15-9-1-2-10-16-20)17-21(18-11-5-3-6-12-18)25-23(27)19-13-7-4-8-14-19/h3-8,11-14,20-21H,1-2,9-10,15-17H2,(H,24,26)(H,25,27)/t21-/m1/s1.
What are the key properties of N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide?
N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 364.49 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 2547647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).