N-[1-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide

C22H34N2O2 — CID 135174759

IUPACN-[1-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide
SMILESCC(C)NC(=O)CCC1CCC(CC(C)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H34N2O2/c1-16(2)23-21(25)14-13-18-9-11-19(12-10-18)15-17(3)24-22(26)20-7-5-4-6-8-20/h4-8,16-19H,9-15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyJDENHOLTHBSJEN-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.31
Rot. Bonds8

About N-[1-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide

N-[1-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide (PubChem CID 135174759) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[1-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide
PubChem CID135174759
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN-[1-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide
SMILESCC(C)NC(=O)CCC1CCC(CC(C)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H34N2O2/c1-16(2)23-21(25)14-13-18-9-11-19(12-10-18)15-17(3)24-22(26)20-7-5-4-6-8-20/h4-8,16-19H,9-15H2,1-3H3,(H,23,25)(H,24,26)
InChIKeyJDENHOLTHBSJEN-UHFFFAOYSA-N
XLogP4.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide
CID 146332068
N-[(2R)-4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 51648995
N-[4-(cyclopropylmethylamino)-4-oxobutan-2-yl]benzamide
CID 24667186
3-(3-cyclopropylpropanoylamino)-2-methyl-3-phenylpropanoic acid
CID 119219119
N-[(2S)-4-(cyclohexylamino)-4-oxobutan-2-yl]benzamide
CID 39963895
3-(3-cyclobutylpropanoylamino)-2-methyl-3-phenylpropanoic acid
CID 120522194
N-(1-cyclopropylpropan-2-yl)-4-(3-hydroxyprop-1-ynyl)benzamide
CID 63994001
N-[4-[(2-cyclopentyl-2-hydroxyethyl)amino]-4-oxobutan-2-yl]benzamide
CID 111425941
N-(1-(18F)fluoropropan-2-yl)(18F)benzamide
CID 177440113
N-[4-(2-methylpropyl)cyclohexyl]benzamide
CID 165058594
N-(4-amino-4-oxobutan-2-yl)benzamide
CID 47112685
4-(3-aminoprop-1-ynyl)-N-(1-cyclopropylpropan-2-yl)benzamide
CID 63996773

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide?
The IUPAC name of N-[1-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide (CID 135174759) is N-[1-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide.
What is the SMILES notation for N-[1-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide?
The canonical SMILES for N-[1-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide is CC(C)NC(=O)CCC1CCC(CC(C)NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide?
The InChIKey is JDENHOLTHBSJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-16(2)23-21(25)14-13-18-9-11-19(12-10-18)15-17(3)24-22(26)20-7-5-4-6-8-20/h4-8,16-19H,9-15H2,1-3H3,(H,23,25)(H,24,26).
What are the key properties of N-[1-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide?
N-[1-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide has a molecular weight of 358.53 g/mol, XLogP of 4.31, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide is sourced from PubChem (CID 135174759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).