(2S)-N-(3-chloro-4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylacetamide

C20H23ClN2O2 — CID 2442322

IUPAC(2S)-N-(3-chloro-4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylacetamide
SMILESCc1ccc(NC(=O)[C@@H](NC[C@@H]2CCCO2)c2ccccc2)cc1Cl
InChIInChI=1S/C20H23ClN2O2/c1-14-9-10-16(12-18(14)21)23-20(24)19(15-6-3-2-4-7-15)22-13-17-8-5-11-25-17/h2-4,6-7,9-10,12,17,19,22H,5,8,11,13H2,1H3,(H,23,24)/t17-,19-/m0/s1
InChIKeyYRXQUGZTCWVMTI-HKUYNNGSSA-N
MW358.87 g/mol
LogP4.10
Rot. Bonds6

About (2S)-N-(3-chloro-4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylacetamide

(2S)-N-(3-chloro-4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylacetamide (PubChem CID 2442322) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylacetamide
PubChem CID2442322
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name(2S)-N-(3-chloro-4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylacetamide
SMILESCc1ccc(NC(=O)[C@@H](NC[C@@H]2CCCO2)c2ccccc2)cc1Cl
InChIInChI=1S/C20H23ClN2O2/c1-14-9-10-16(12-18(14)21)23-20(24)19(15-6-3-2-4-7-15)22-13-17-8-5-11-25-17/h2-4,6-7,9-10,12,17,19,22H,5,8,11,13H2,1H3,(H,23,24)/t17-,19-/m0/s1
InChIKeyYRXQUGZTCWVMTI-HKUYNNGSSA-N
XLogP4.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dichlorophenyl)-2-(oxolan-2-ylmethylamino)-2-phenylacetamide
CID 3345532
N'-(3-chloro-4-methylphenyl)-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 7256111
N'-(3-chloro-4-methylphenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943710
(2S)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-(prop-2-ynylamino)acetamide
CID 9357599
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710
2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 55409532
2-(4-methylphenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889959
N-[3-chloro-4-(1-phenylethylamino)phenyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 49263668
(2R)-N-(3-chloro-4-methylphenyl)-2-phenyl-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 2442837
3-[[(1R)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]amino]-N-cyclopropylbenzamide
CID 41081211
ethyl 2-[[(2S)-2-[[(2R)-oxolan-2-yl]methylamino]-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2477592
ethyl 2-[[(2R)-2-[[(2R)-oxolan-2-yl]methylamino]-2-phenylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 2477588

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylacetamide?
The IUPAC name of (2S)-N-(3-chloro-4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylacetamide (CID 2442322) is (2S)-N-(3-chloro-4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylacetamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylacetamide?
The canonical SMILES for (2S)-N-(3-chloro-4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylacetamide is Cc1ccc(NC(=O)[C@@H](NC[C@@H]2CCCO2)c2ccccc2)cc1Cl.
What is the InChIKey of (2S)-N-(3-chloro-4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylacetamide?
The InChIKey is YRXQUGZTCWVMTI-HKUYNNGSSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-14-9-10-16(12-18(14)21)23-20(24)19(15-6-3-2-4-7-15)22-13-17-8-5-11-25-17/h2-4,6-7,9-10,12,17,19,22H,5,8,11,13H2,1H3,(H,23,24)/t17-,19-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylacetamide?
(2S)-N-(3-chloro-4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylacetamide has a molecular weight of 358.87 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-4-methylphenyl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylacetamide is sourced from PubChem (CID 2442322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).