N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide

C20H31N3O3 — CID 11929471

IUPACN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1
InChIInChI=1S/C20H31N3O3/c1-14-7-5-10-18(15(14)2)22-20(25)13-23(3)12-19(24)21-16-8-6-9-17(11-16)26-4/h6,8-9,11,14-15,18H,5,7,10,12-13H2,1-4H3,(H,21,24)(H,22,25)/t14-,15-,18-/m1/s1
InChIKeyYZRHTUDUEVFIFL-IIDMSEBBSA-N
MW361.49 g/mol
LogP2.51
Rot. Bonds7

About N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide

N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide (PubChem CID 11929471) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
PubChem CID11929471
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
SMILESCOc1cccc(NC(=O)CN(C)CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1
InChIInChI=1S/C20H31N3O3/c1-14-7-5-10-18(15(14)2)22-20(25)13-23(3)12-19(24)21-16-8-6-9-17(11-16)26-4/h6,8-9,11,14-15,18H,5,7,10,12-13H2,1-4H3,(H,21,24)(H,22,25)/t14-,15-,18-/m1/s1
InChIKeyYZRHTUDUEVFIFL-IIDMSEBBSA-N
XLogP2.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide with MolForge

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Related Compounds

(2R)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]propanamide
CID 11929484
N-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9250651
N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 26624583
2-[(2,3-dimethylcyclohexyl)amino]-N-(3-methoxyphenyl)acetamide
CID 43180111
2-[[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8554767
2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(2,3-dimethylcyclohexyl)acetamide
CID 42915427
1-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-3-(3-methoxyphenyl)thiourea
CID 11930350
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S)-2-methylcyclohexyl]propanamide
CID 9198399
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 109397891
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]acetamide
CID 9287235
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]acetamide
CID 11938604
N-(3-methoxyphenyl)-2-[[(1R,2S)-2-methylcyclohexyl]amino]acetamide
CID 1133388

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide (CID 11929471) is N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide is COc1cccc(NC(=O)CN(C)CC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1.
What is the InChIKey of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
The InChIKey is YZRHTUDUEVFIFL-IIDMSEBBSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-14-7-5-10-18(15(14)2)22-20(25)13-23(3)12-19(24)21-16-8-6-9-17(11-16)26-4/h6,8-9,11,14-15,18H,5,7,10,12-13H2,1-4H3,(H,21,24)(H,22,25)/t14-,15-,18-/m1/s1.
What are the key properties of N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide?
N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide has a molecular weight of 361.49 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 11929471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).