N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]benzamide

C24H32N2O3 — CID 176577410

IUPACN-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]benzamide
SMILESCCC(=O)[C@H](NC(=O)c1cccc(C2CN(C(=O)C3CC3)C2)c1)C1CCCCC1
InChIInChI=1S/C24H32N2O3/c1-2-21(27)22(16-7-4-3-5-8-16)25-23(28)19-10-6-9-18(13-19)20-14-26(15-20)24(29)17-11-12-17/h6,9-10,13,16-17,20,22H,2-5,7-8,11-12,14-15H2,1H3,(H,25,28)/t22-/m1/s1
InChIKeyYUNYOQHQLRAPNK-JOCHJYFZSA-N
MW396.53 g/mol
LogP3.68
Rot. Bonds7

About N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]benzamide

N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]benzamide (PubChem CID 176577410) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]benzamide
PubChem CID176577410
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]benzamide
SMILESCCC(=O)[C@H](NC(=O)c1cccc(C2CN(C(=O)C3CC3)C2)c1)C1CCCCC1
InChIInChI=1S/C24H32N2O3/c1-2-21(27)22(16-7-4-3-5-8-16)25-23(28)19-10-6-9-18(13-19)20-14-26(15-20)24(29)17-11-12-17/h6,9-10,13,16-17,20,22H,2-5,7-8,11-12,14-15H2,1H3,(H,25,28)/t22-/m1/s1
InChIKeyYUNYOQHQLRAPNK-JOCHJYFZSA-N
XLogP3.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-3-yl]benzamide
CID 176575682
N-[(1R)-1-cyclohexyl-3-methyl-2-oxopentyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 176576998
N-(1-cyclohexyl-2-oxobutyl)-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-2-fluorobenzamide
CID 176579164
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 176579836
N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[(3S)-1-pentanoylpiperidin-3-yl]benzamide;molecular hydrogen
CID 176575848
N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(2-cyclopropyloxyacetyl)piperidin-3-yl]benzamide
CID 176578218
N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]-3-[1-(cyclopentanecarbonyl)piperidin-3-yl]benzamide
CID 176576847
cyclohexane;3-[1-(cyclopropanecarbonyl)azetidin-3-yl]-N-(3-methyl-2-oxobutyl)benzamide
CID 176576174
3-[1-(cyclobutanecarbonyl)piperidin-3-yl]-N-[(1R)-1-cyclohexyl-3-methyl-2-oxobutyl]benzamide
CID 176579413
N-[(1R)-1-cyclohexyl-2-oxopropyl]-3-[1-[2-(methylamino)acetyl]azetidin-3-yl]benzamide;ethane;molecular hydrogen
CID 176579563
N-(1-cyclohexyl-2-oxobutyl)-3-[1-[2-[(4-ethoxy-6-methoxy-3-pyridinyl)methylamino]acetyl]piperidin-3-yl]benzamide
CID 176578377
N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[(3S)-1-[2-[(4-ethoxy-2-methoxypyrimidin-5-yl)methylamino]acetyl]piperidin-3-yl]benzamide
CID 176576534

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]benzamide?
The IUPAC name of N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]benzamide (CID 176577410) is N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]benzamide.
What is the SMILES notation for N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]benzamide?
The canonical SMILES for N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]benzamide is CCC(=O)[C@H](NC(=O)c1cccc(C2CN(C(=O)C3CC3)C2)c1)C1CCCCC1.
What is the InChIKey of N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]benzamide?
The InChIKey is YUNYOQHQLRAPNK-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-2-21(27)22(16-7-4-3-5-8-16)25-23(28)19-10-6-9-18(13-19)20-14-26(15-20)24(29)17-11-12-17/h6,9-10,13,16-17,20,22H,2-5,7-8,11-12,14-15H2,1H3,(H,25,28)/t22-/m1/s1.
What are the key properties of N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]benzamide?
N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]benzamide has a molecular weight of 396.53 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclohexyl-2-oxobutyl]-3-[1-(cyclopropanecarbonyl)azetidin-3-yl]benzamide is sourced from PubChem (CID 176577410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).