N-(2,4-dimethoxyphenyl)-3-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]propanamide

C18H28N2O4 — CID 50969221

IUPACN-(2,4-dimethoxyphenyl)-3-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]propanamide
SMILESCOc1ccc(NC(=O)CCNC[C@H]2CCCC[C@H]2O)c(OC)c1
InChIInChI=1S/C18H28N2O4/c1-23-14-7-8-15(17(11-14)24-2)20-18(22)9-10-19-12-13-5-3-4-6-16(13)21/h7-8,11,13,16,19,21H,3-6,9-10,12H2,1-2H3,(H,20,22)/t13-,16-/m1/s1
InChIKeyUMZYZIFRLHLGEP-CZUORRHYSA-N
MW336.43 g/mol
LogP2.17
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-3-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]propanamide

N-(2,4-dimethoxyphenyl)-3-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]propanamide (PubChem CID 50969221) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-3-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]propanamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-3-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]propanamide
PubChem CID50969221
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-(2,4-dimethoxyphenyl)-3-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]propanamide
SMILESCOc1ccc(NC(=O)CCNC[C@H]2CCCC[C@H]2O)c(OC)c1
InChIInChI=1S/C18H28N2O4/c1-23-14-7-8-15(17(11-14)24-2)20-18(22)9-10-19-12-13-5-3-4-6-16(13)21/h7-8,11,13,16,19,21H,3-6,9-10,12H2,1-2H3,(H,20,22)/t13-,16-/m1/s1
InChIKeyUMZYZIFRLHLGEP-CZUORRHYSA-N
XLogP2.17
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopentylamino)-N-(2,4-dimethoxyphenyl)propanamide
CID 109013717
N-(2,4-dimethoxyphenyl)-3-(prop-2-enylamino)propanamide
CID 109012115
N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide
CID 109032275
N-(2,4-dimethoxyphenyl)-3-[(3-methylphenyl)methylamino]propanamide
CID 109019684
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875892
N-(2,4-dimethoxyphenyl)-3-(3-phenylpropylamino)propanamide
CID 109030966
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
3-[acetyl(cyclopentyl)amino]-N-(2,5-dimethoxyphenyl)propanamide
CID 113116443
N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689020
3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride
CID 2901116
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-3-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]propanamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-3-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]propanamide (CID 50969221) is N-(2,4-dimethoxyphenyl)-3-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]propanamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-3-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]propanamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-3-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]propanamide is COc1ccc(NC(=O)CCNC[C@H]2CCCC[C@H]2O)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-3-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]propanamide?
The InChIKey is UMZYZIFRLHLGEP-CZUORRHYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-23-14-7-8-15(17(11-14)24-2)20-18(22)9-10-19-12-13-5-3-4-6-16(13)21/h7-8,11,13,16,19,21H,3-6,9-10,12H2,1-2H3,(H,20,22)/t13-,16-/m1/s1.
What are the key properties of N-(2,4-dimethoxyphenyl)-3-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]propanamide?
N-(2,4-dimethoxyphenyl)-3-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]propanamide has a molecular weight of 336.43 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-3-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]propanamide is sourced from PubChem (CID 50969221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).