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

C22H34N2O2 — CID 146332068

IUPACN-[2-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide
SMILESCC(C)NC(=O)CCC1CCC(C(C)(C)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H34N2O2/c1-16(2)23-20(25)15-12-17-10-13-19(14-11-17)22(3,4)24-21(26)18-8-6-5-7-9-18/h5-9,16-17,19H,10-15H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyDJDYRMFFWSDNEX-UHFFFAOYSA-N
MW358.53 g/mol
LogP4.31
Rot. Bonds7

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

N-[2-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide (PubChem CID 146332068) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is N-[2-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide
PubChem CID146332068
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC NameN-[2-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide
SMILESCC(C)NC(=O)CCC1CCC(C(C)(C)NC(=O)c2ccccc2)CC1
InChIInChI=1S/C22H34N2O2/c1-16(2)23-20(25)15-12-17-10-13-19(14-11-17)22(3,4)24-21(26)18-8-6-5-7-9-18/h5-9,16-17,19H,10-15H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyDJDYRMFFWSDNEX-UHFFFAOYSA-N
XLogP4.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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-[1-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide
CID 135174759
3-(3-cyclobutylpropanoylamino)-2-methyl-3-phenylpropanoic acid
CID 120522194
3-(3-cyclopropylpropanoylamino)-2-methyl-3-phenylpropanoic acid
CID 119219119
3-cyclopentyl-N-[(1R)-2-hydroxy-1-phenylethyl]propanamide
CID 103772689
3-cyclopentyl-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 78771407
N-(1-amino-2-phenylpropan-2-yl)-3-cyclopentylpropanamide
CID 105060455
3-(oxan-4-yl)-N-(1-phenylethyl)propanamide
CID 84578473
N-(1-cyclohexyl-2-methoxypropan-2-yl)benzamide
CID 91004368
3-(3-cyclobutylpropanoylamino)butanoic acid
CID 119347962
(3S)-3-(3-cyclopentylpropanoylamino)butanoic acid
CID 93262756
N'-(4-cyclohexylbutanoyl)benzohydrazide
CID 9414897
3-cyclopentyl-N-[4-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 38166746

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide?
The IUPAC name of N-[2-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide (CID 146332068) is N-[2-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide.
What is the SMILES notation for N-[2-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide?
The canonical SMILES for N-[2-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide is CC(C)NC(=O)CCC1CCC(C(C)(C)NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[2-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide?
The InChIKey is DJDYRMFFWSDNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-16(2)23-20(25)15-12-17-10-13-19(14-11-17)22(3,4)24-21(26)18-8-6-5-7-9-18/h5-9,16-17,19H,10-15H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of N-[2-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide?
N-[2-[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, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[3-oxo-3-(propan-2-ylamino)propyl]cyclohexyl]propan-2-yl]benzamide is sourced from PubChem (CID 146332068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).