1-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-N-propan-2-ylcyclohexane-1,2-dicarboxamide

C20H29N3O3 — CID 165121814

IUPAC1-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-N-propan-2-ylcyclohexane-1,2-dicarboxamide
SMILESCNC(=O)c1cccc(CNC(=O)C2CCCCC2C(=O)NC(C)C)c1
InChIInChI=1S/C20H29N3O3/c1-13(2)23-20(26)17-10-5-4-9-16(17)19(25)22-12-14-7-6-8-15(11-14)18(24)21-3/h6-8,11,13,16-17H,4-5,9-10,12H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyBHIILCOVTRCADF-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.99
Rot. Bonds6

About 1-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-N-propan-2-ylcyclohexane-1,2-dicarboxamide

1-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-N-propan-2-ylcyclohexane-1,2-dicarboxamide (PubChem CID 165121814) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 1-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-N-propan-2-ylcyclohexane-1,2-dicarboxamide.

Molecular Properties

Compound Name1-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-N-propan-2-ylcyclohexane-1,2-dicarboxamide
PubChem CID165121814
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name1-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-N-propan-2-ylcyclohexane-1,2-dicarboxamide
SMILESCNC(=O)c1cccc(CNC(=O)C2CCCCC2C(=O)NC(C)C)c1
InChIInChI=1S/C20H29N3O3/c1-13(2)23-20(26)17-10-5-4-9-16(17)19(25)22-12-14-7-6-8-15(11-14)18(24)21-3/h6-8,11,13,16-17H,4-5,9-10,12H2,1-3H3,(H,21,24)(H,22,25)(H,23,26)
InChIKeyBHIILCOVTRCADF-UHFFFAOYSA-N
XLogP1.99
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120549379
ethane;3-(formamidomethyl)-N-methylbenzamide;N-propan-2-ylcyclohexanecarboxamide
CID 165121846
3-[[(3-aminocyclopentanecarbonyl)amino]methyl]-N-methylbenzamide;hydrochloride
CID 119719955
(4R)-4-methyl-N-[[3-(methylcarbamoyl)phenyl]methyl]azepane-1-carboxamide
CID 95041605
N-[[3-(methylcarbamoyl)phenyl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 55986573
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-N-methylbenzamide
CID 119719988
N-[(2R)-butan-2-yl]-3-[[[(1S)-cyclohex-3-ene-1-carbonyl]amino]methyl]benzamide
CID 94181986
N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46592689
3-[[(2-amino-3-methylpentanoyl)amino]methyl]-N-methylbenzamide
CID 119719976
3-[[[(2S)-2-amino-4-methylpentanoyl]amino]methyl]-N-methylbenzamide;hydrochloride
CID 119719987
N-methyl-3-[[[2-[(3R)-oxan-3-yl]acetyl]amino]methyl]benzamide
CID 124624589
3-[(cyclohexanecarbonylamino)methyl]benzoic acid
CID 60895668

Frequently Asked Questions

What is the IUPAC name of 1-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-N-propan-2-ylcyclohexane-1,2-dicarboxamide?
The IUPAC name of 1-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-N-propan-2-ylcyclohexane-1,2-dicarboxamide (CID 165121814) is 1-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-N-propan-2-ylcyclohexane-1,2-dicarboxamide.
What is the SMILES notation for 1-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-N-propan-2-ylcyclohexane-1,2-dicarboxamide?
The canonical SMILES for 1-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-N-propan-2-ylcyclohexane-1,2-dicarboxamide is CNC(=O)c1cccc(CNC(=O)C2CCCCC2C(=O)NC(C)C)c1.
What is the InChIKey of 1-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-N-propan-2-ylcyclohexane-1,2-dicarboxamide?
The InChIKey is BHIILCOVTRCADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-13(2)23-20(26)17-10-5-4-9-16(17)19(25)22-12-14-7-6-8-15(11-14)18(24)21-3/h6-8,11,13,16-17H,4-5,9-10,12H2,1-3H3,(H,21,24)(H,22,25)(H,23,26).
What are the key properties of 1-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-N-propan-2-ylcyclohexane-1,2-dicarboxamide?
1-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-N-propan-2-ylcyclohexane-1,2-dicarboxamide has a molecular weight of 359.47 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[[3-(methylcarbamoyl)phenyl]methyl]-2-N-propan-2-ylcyclohexane-1,2-dicarboxamide is sourced from PubChem (CID 165121814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).