1-N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide

C21H32N2O3 — CID 124847238

IUPAC1-N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide
SMILESCCN(C)C(=O)c1cccc(C(=O)NC[C@H](CO)CC2CCCCC2)c1
InChIInChI=1S/C21H32N2O3/c1-3-23(2)21(26)19-11-7-10-18(13-19)20(25)22-14-17(15-24)12-16-8-5-4-6-9-16/h7,10-11,13,16-17,24H,3-6,8-9,12,14-15H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyKJRZTRVGUOGXKS-QGZVFWFLSA-N
MW360.50 g/mol
LogP3.09
Rot. Bonds8

About 1-N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide

1-N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide (PubChem CID 124847238) has the molecular formula C21H32N2O3 and a molecular weight of 360.50 g/mol. Its IUPAC name is 1-N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide
PubChem CID124847238
Molecular FormulaC21H32N2O3
Molecular Weight360.50 g/mol
Exact Mass360.24
IUPAC Name1-N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide
SMILESCCN(C)C(=O)c1cccc(C(=O)NC[C@H](CO)CC2CCCCC2)c1
InChIInChI=1S/C21H32N2O3/c1-3-23(2)21(26)19-11-7-10-18(13-19)20(25)22-14-17(15-24)12-16-8-5-4-6-9-16/h7,10-11,13,16-17,24H,3-6,8-9,12,14-15H2,1-2H3,(H,22,25)/t17-/m1/s1
InChIKeyKJRZTRVGUOGXKS-QGZVFWFLSA-N
XLogP3.09
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide with MolForge

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Related Compounds

3-N-ethyl-1-N-[(3-hydroxycyclohexyl)methyl]-3-N-methylbenzene-1,3-dicarboxamide
CID 111460252
N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-6-methylpyridine-3-carboxamide
CID 124844251
N-[(2S)-2-(cyclohexylmethyl)-3-hydroxypropyl]-1H-indazole-5-carboxamide
CID 124743745
2-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548194
3-N-ethyl-3-N-methyl-1-N-piperidin-4-ylbenzene-1,3-dicarboxamide
CID 119390450
N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-5-fluoropyridine-3-carboxamide
CID 124844495
3-N-[(2S)-2-cyclohexyl-2-hydroxyethyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 97218721
N-(2-cyclopentyl-2-hydroxyethyl)-3-methylbenzamide
CID 111425752
4-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 119229655
1-N-(1-amino-2-cyclopropylpropan-2-yl)-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119576009
5-cyclohexyl-4-[[3-(dimethylcarbamoyl)benzoyl]amino]pentanoic acid
CID 122056899
cis-(1R,3S)-3-[[3-[ethyl(methyl)carbamoyl]benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120678069

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide (CID 124847238) is 1-N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide is CCN(C)C(=O)c1cccc(C(=O)NC[C@H](CO)CC2CCCCC2)c1.
What is the InChIKey of 1-N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide?
The InChIKey is KJRZTRVGUOGXKS-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H32N2O3/c1-3-23(2)21(26)19-11-7-10-18(13-19)20(25)22-14-17(15-24)12-16-8-5-4-6-9-16/h7,10-11,13,16-17,24H,3-6,8-9,12,14-15H2,1-2H3,(H,22,25)/t17-/m1/s1.
What are the key properties of 1-N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide?
1-N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide has a molecular weight of 360.50 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2R)-2-(cyclohexylmethyl)-3-hydroxypropyl]-3-N-ethyl-3-N-methylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 124847238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).