N-[(1R,2R)-2-methylcyclohexyl]-2-[4-[(3S)-oxolan-3-yl]oxyanilino]acetamide

C19H28N2O3 — CID 129426905

IUPACN-[(1R,2R)-2-methylcyclohexyl]-2-[4-[(3S)-oxolan-3-yl]oxyanilino]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CNc1ccc(O[C@H]2CCOC2)cc1
InChIInChI=1S/C19H28N2O3/c1-14-4-2-3-5-18(14)21-19(22)12-20-15-6-8-16(9-7-15)24-17-10-11-23-13-17/h6-9,14,17-18,20H,2-5,10-13H2,1H3,(H,21,22)/t14-,17+,18-/m1/s1
InChIKeyJNDVKFAVKQSKEF-FHLIZLRMSA-N
MW332.44 g/mol
LogP2.96
Rot. Bonds6

About N-[(1R,2R)-2-methylcyclohexyl]-2-[4-[(3S)-oxolan-3-yl]oxyanilino]acetamide

N-[(1R,2R)-2-methylcyclohexyl]-2-[4-[(3S)-oxolan-3-yl]oxyanilino]acetamide (PubChem CID 129426905) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclohexyl]-2-[4-[(3S)-oxolan-3-yl]oxyanilino]acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclohexyl]-2-[4-[(3S)-oxolan-3-yl]oxyanilino]acetamide
PubChem CID129426905
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[(1R,2R)-2-methylcyclohexyl]-2-[4-[(3S)-oxolan-3-yl]oxyanilino]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CNc1ccc(O[C@H]2CCOC2)cc1
InChIInChI=1S/C19H28N2O3/c1-14-4-2-3-5-18(14)21-19(22)12-20-15-6-8-16(9-7-15)24-17-10-11-23-13-17/h6-9,14,17-18,20H,2-5,10-13H2,1H3,(H,21,22)/t14-,17+,18-/m1/s1
InChIKeyJNDVKFAVKQSKEF-FHLIZLRMSA-N
XLogP2.96
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-4-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]benzamide
CID 55345343
2-(cyclopropylmethylamino)-N-[4-(oxolan-3-yloxy)phenyl]acetamide;hydrochloride
CID 119798675
N-(2-methylcyclohexyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 78808028
2,2-dimethyl-N-[3-[[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]amino]phenyl]propanamide
CID 31761761
2,2-dimethyl-N-[3-[[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]amino]phenyl]propanamide
CID 47021509
N-[4-(oxolan-3-yloxy)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119798692
2-(4-cyclopentyloxyanilino)-N-phenylacetamide
CID 39998941
N-(2-methylcyclohexyl)-2-(3-morpholin-4-ylsulfonylanilino)acetamide
CID 46797702
2-(4-cyclopentyloxyanilino)acetamide
CID 70088108
N-cyclopentyl-2-(4-ethoxyanilino)acetamide
CID 28569669
4-methyl-4-[[4-(oxolan-3-yloxy)phenyl]carbamoylamino]pentanoic acid
CID 122085302
2-amino-3-methoxy-N-[4-(oxolan-3-yloxy)phenyl]propanamide;hydrochloride
CID 120990540

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-2-[4-[(3S)-oxolan-3-yl]oxyanilino]acetamide?
The IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-2-[4-[(3S)-oxolan-3-yl]oxyanilino]acetamide (CID 129426905) is N-[(1R,2R)-2-methylcyclohexyl]-2-[4-[(3S)-oxolan-3-yl]oxyanilino]acetamide.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclohexyl]-2-[4-[(3S)-oxolan-3-yl]oxyanilino]acetamide?
The canonical SMILES for N-[(1R,2R)-2-methylcyclohexyl]-2-[4-[(3S)-oxolan-3-yl]oxyanilino]acetamide is C[C@@H]1CCCC[C@H]1NC(=O)CNc1ccc(O[C@H]2CCOC2)cc1.
What is the InChIKey of N-[(1R,2R)-2-methylcyclohexyl]-2-[4-[(3S)-oxolan-3-yl]oxyanilino]acetamide?
The InChIKey is JNDVKFAVKQSKEF-FHLIZLRMSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14-4-2-3-5-18(14)21-19(22)12-20-15-6-8-16(9-7-15)24-17-10-11-23-13-17/h6-9,14,17-18,20H,2-5,10-13H2,1H3,(H,21,22)/t14-,17+,18-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclohexyl]-2-[4-[(3S)-oxolan-3-yl]oxyanilino]acetamide?
N-[(1R,2R)-2-methylcyclohexyl]-2-[4-[(3S)-oxolan-3-yl]oxyanilino]acetamide has a molecular weight of 332.44 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylcyclohexyl]-2-[4-[(3S)-oxolan-3-yl]oxyanilino]acetamide is sourced from PubChem (CID 129426905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).