2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C19H30N2O2 — CID 50959258

IUPAC2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CNC[C@H]1CCCC[C@H]1O
InChIInChI=1S/C19H30N2O2/c1-13(2)16-9-6-7-14(3)19(16)21-18(23)12-20-11-15-8-4-5-10-17(15)22/h6-7,9,13,15,17,20,22H,4-5,8,10-12H2,1-3H3,(H,21,23)/t15-,17-/m1/s1
InChIKeyJPWZARVVCMOTTO-NVXWUHKLSA-N
MW318.46 g/mol
LogP3.20
Rot. Bonds6

About 2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 50959258) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID50959258
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)CNC[C@H]1CCCC[C@H]1O
InChIInChI=1S/C19H30N2O2/c1-13(2)16-9-6-7-14(3)19(16)21-18(23)12-20-11-15-8-4-5-10-17(15)22/h6-7,9,13,15,17,20,22H,4-5,8,10-12H2,1-3H3,(H,21,23)/t15-,17-/m1/s1
InChIKeyJPWZARVVCMOTTO-NVXWUHKLSA-N
XLogP3.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-2-(propylamino)acetamide
CID 60648439
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 11913397
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
2-[2-(dimethylamino)ethylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2112763
3-amino-N-(2-methyl-6-propan-2-ylphenyl)-3-sulfanylidenepropanamide
CID 28942450
2-[(3aR,5S,6S,7aS)-5,6-dihydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 91829375
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
N-(2-methyl-6-propan-2-ylphenyl)-2-(oxan-3-yl)acetamide
CID 110858330
2-[(2-methyl-6-propan-2-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 5061547
2-[3-(methylamino)piperidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 119919377
3-[cyclohexyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)propanamide
CID 113137458

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 50959258) is 2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1cccc(C(C)C)c1NC(=O)CNC[C@H]1CCCC[C@H]1O.
What is the InChIKey of 2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is JPWZARVVCMOTTO-NVXWUHKLSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-13(2)16-9-6-7-14(3)19(16)21-18(23)12-20-11-15-8-4-5-10-17(15)22/h6-7,9,13,15,17,20,22H,4-5,8,10-12H2,1-3H3,(H,21,23)/t15-,17-/m1/s1.
What are the key properties of 2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 318.46 g/mol, XLogP of 3.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 50959258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).