2,2-dimethyl-N-[3-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]phenyl]propanamide

C20H31N3O2 — CID 31761761

IUPAC2,2-dimethyl-N-[3-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]phenyl]propanamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)CNc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C20H31N3O2/c1-14-8-5-6-11-17(14)23-18(24)13-21-15-9-7-10-16(12-15)22-19(25)20(2,3)4/h7,9-10,12,14,17,21H,5-6,8,11,13H2,1-4H3,(H,22,25)(H,23,24)/t14-,17-/m0/s1
InChIKeyIQCQGFZWXYFMKP-YOEHRIQHSA-N
MW345.49 g/mol
LogP3.78
Rot. Bonds5

About 2,2-dimethyl-N-[3-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]phenyl]propanamide

2,2-dimethyl-N-[3-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]phenyl]propanamide (PubChem CID 31761761) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]phenyl]propanamide
PubChem CID31761761
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2,2-dimethyl-N-[3-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]phenyl]propanamide
SMILESC[C@H]1CCCC[C@@H]1NC(=O)CNc1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C20H31N3O2/c1-14-8-5-6-11-17(14)23-18(24)13-21-15-9-7-10-16(12-15)22-19(25)20(2,3)4/h7,9-10,12,14,17,21H,5-6,8,11,13H2,1-4H3,(H,22,25)(H,23,24)/t14-,17-/m0/s1
InChIKeyIQCQGFZWXYFMKP-YOEHRIQHSA-N
XLogP3.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N-[3-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]phenyl]propanamide with MolForge

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Related Compounds

2,2-dimethyl-N-[3-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]phenyl]propanamide
CID 47021509
N-(2-methylcyclohexyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 46797702
N-[3-(2,2-dimethylpropanoylamino)phenyl]cyclopropanecarboxamide
CID 17204538
cis-(1S,2R)-2-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 42561915
N-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 78808028
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-2-(3-nitroanilino)acetamide
CID 11924611
2,2-dimethyl-N-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 31761155
N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 54812623
N-[3-[[2-(3,5-dimethoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 31761319
N-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-2,2-dimethylpropanamide
CID 31760902
2,2-dimethyl-N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]propanamide
CID 54844972
2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide
CID 54835732

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]phenyl]propanamide (CID 31761761) is 2,2-dimethyl-N-[3-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]phenyl]propanamide is C[C@H]1CCCC[C@@H]1NC(=O)CNc1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of 2,2-dimethyl-N-[3-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]phenyl]propanamide?
The InChIKey is IQCQGFZWXYFMKP-YOEHRIQHSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-14-8-5-6-11-17(14)23-18(24)13-21-15-9-7-10-16(12-15)22-19(25)20(2,3)4/h7,9-10,12,14,17,21H,5-6,8,11,13H2,1-4H3,(H,22,25)(H,23,24)/t14-,17-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[3-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]phenyl]propanamide?
2,2-dimethyl-N-[3-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]phenyl]propanamide has a molecular weight of 345.49 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]phenyl]propanamide is sourced from PubChem (CID 31761761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).