3-[[(1R)-3,3-dimethylcyclohexyl]amino]-N-(2-methoxyphenyl)propanamide

C18H28N2O2 — CID 95210776

IUPAC3-[[(1R)-3,3-dimethylcyclohexyl]amino]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN[C@@H]1CCCC(C)(C)C1
InChIInChI=1S/C18H28N2O2/c1-18(2)11-6-7-14(13-18)19-12-10-17(21)20-15-8-4-5-9-16(15)22-3/h4-5,8-9,14,19H,6-7,10-13H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeyQBLJBHNHQWIRQP-CQSZACIVSA-N
MW304.43 g/mol
LogP3.58
Rot. Bonds6

About 3-[[(1R)-3,3-dimethylcyclohexyl]amino]-N-(2-methoxyphenyl)propanamide

3-[[(1R)-3,3-dimethylcyclohexyl]amino]-N-(2-methoxyphenyl)propanamide (PubChem CID 95210776) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-[[(1R)-3,3-dimethylcyclohexyl]amino]-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[[(1R)-3,3-dimethylcyclohexyl]amino]-N-(2-methoxyphenyl)propanamide
PubChem CID95210776
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-[[(1R)-3,3-dimethylcyclohexyl]amino]-N-(2-methoxyphenyl)propanamide
SMILESCOc1ccccc1NC(=O)CCN[C@@H]1CCCC(C)(C)C1
InChIInChI=1S/C18H28N2O2/c1-18(2)11-6-7-14(13-18)19-12-10-17(21)20-15-8-4-5-9-16(15)22-3/h4-5,8-9,14,19H,6-7,10-13H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeyQBLJBHNHQWIRQP-CQSZACIVSA-N
XLogP3.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopentylamino)-N-(2,4-dimethoxyphenyl)propanamide
CID 109013717
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CID 54925076
N-(2-methoxyphenyl)-3-(methylamino)propanamide
CID 54773589
1-[2-(cyclopropylamino)ethyl]-3-(2-methoxyphenyl)urea
CID 55100972
2-[(2,2-dimethylcyclohexyl)amino]-N-(2-methoxyphenyl)acetamide
CID 79871763
3-(2,6-dimethoxyphenyl)-N-(2-methoxyphenyl)propanamide
CID 100789518
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
N-[2-(cyclopropylmethoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119799491
N-cyclohexyl-2-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylacetamide
CID 40588524
2-[4-bromo-2-[(cyclopentylamino)methyl]phenoxy]-N-(2-methoxyphenyl)acetamide
CID 979929
3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 56525571
2-(1-hydroxycyclohexyl)-N-(2-methoxyphenyl)acetamide
CID 111331493

Frequently Asked Questions

What is the IUPAC name of 3-[[(1R)-3,3-dimethylcyclohexyl]amino]-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-[[(1R)-3,3-dimethylcyclohexyl]amino]-N-(2-methoxyphenyl)propanamide (CID 95210776) is 3-[[(1R)-3,3-dimethylcyclohexyl]amino]-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[[(1R)-3,3-dimethylcyclohexyl]amino]-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-[[(1R)-3,3-dimethylcyclohexyl]amino]-N-(2-methoxyphenyl)propanamide is COc1ccccc1NC(=O)CCN[C@@H]1CCCC(C)(C)C1.
What is the InChIKey of 3-[[(1R)-3,3-dimethylcyclohexyl]amino]-N-(2-methoxyphenyl)propanamide?
The InChIKey is QBLJBHNHQWIRQP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2)11-6-7-14(13-18)19-12-10-17(21)20-15-8-4-5-9-16(15)22-3/h4-5,8-9,14,19H,6-7,10-13H2,1-3H3,(H,20,21)/t14-/m1/s1.
What are the key properties of 3-[[(1R)-3,3-dimethylcyclohexyl]amino]-N-(2-methoxyphenyl)propanamide?
3-[[(1R)-3,3-dimethylcyclohexyl]amino]-N-(2-methoxyphenyl)propanamide has a molecular weight of 304.43 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1R)-3,3-dimethylcyclohexyl]amino]-N-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 95210776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).