N-(cyclohexylmethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide

C20H29NO2 — CID 11688261

IUPACN-(cyclohexylmethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
SMILESO=C(c1ccccc1)N(CC1CCCCC1)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C20H29NO2/c22-19-14-8-7-13-18(19)21(15-16-9-3-1-4-10-16)20(23)17-11-5-2-6-12-17/h2,5-6,11-12,16,18-19,22H,1,3-4,7-10,13-15H2/t18-,19-/m0/s1
InChIKeyRZRDAWFUPACGDC-OALUTQOASA-N
MW315.46 g/mol
LogP4.01
Rot. Bonds4

About N-(cyclohexylmethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide

N-(cyclohexylmethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide (PubChem CID 11688261) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
PubChem CID11688261
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC NameN-(cyclohexylmethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide
SMILESO=C(c1ccccc1)N(CC1CCCCC1)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C20H29NO2/c22-19-14-8-7-13-18(19)21(15-16-9-3-1-4-10-16)20(23)17-11-5-2-6-12-17/h2,5-6,11-12,16,18-19,22H,1,3-4,7-10,13-15H2/t18-,19-/m0/s1
InChIKeyRZRDAWFUPACGDC-OALUTQOASA-N
XLogP4.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide
CID 61053717
4-(chloromethyl)-N-(cyclohexylmethyl)-N-cyclopropylbenzamide
CID 60949844
benzyl(cyclohexylmethyl)carbamic acid
CID 57063774
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide
CID 27245407
N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394612
N,N-bis(cyclohexylmethyl)-2,2-diphenylethenamine
CID 59845327
N-benzyl-2-chloro-N-(2-hydroxycyclohexyl)acetamide
CID 118558614
N-benzyl-2-chloro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
CID 118558613
N-[4-[benzoyl(chloromethyl)amino]cyclohexyl]-N-(chloromethyl)benzamide
CID 67251838
3,5-dibromo-N-(cyclohexylmethyl)-N-cyclopropylbenzamide
CID 107980320
2-[3-[cyclohexyl(cyclopropylmethyl)carbamoyl]phenoxy]acetic acid
CID 119183937
(2R,3R)-N-cyclohexyl-N-(cyclopropylmethyl)-2,3-dihydroxy-3-phenylpropanamide
CID 71160765

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
The IUPAC name of N-(cyclohexylmethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide (CID 11688261) is N-(cyclohexylmethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide is O=C(c1ccccc1)N(CC1CCCCC1)[C@H]1CCCC[C@@H]1O.
What is the InChIKey of N-(cyclohexylmethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
The InChIKey is RZRDAWFUPACGDC-OALUTQOASA-N. The full InChI is InChI=1S/C20H29NO2/c22-19-14-8-7-13-18(19)21(15-16-9-3-1-4-10-16)20(23)17-11-5-2-6-12-17/h2,5-6,11-12,16,18-19,22H,1,3-4,7-10,13-15H2/t18-,19-/m0/s1.
What are the key properties of N-(cyclohexylmethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide?
N-(cyclohexylmethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide has a molecular weight of 315.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]benzamide is sourced from PubChem (CID 11688261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).