N-(3-chloro-4-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]amino]acetamide

C20H31ClN4O2 — CID 52502615

IUPACN-(3-chloro-4-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]amino]acetamide
SMILESCCN1CCC[C@H]1CN(CC(=O)Nc1ccc(C)c(Cl)c1)CC(=O)N(C)C
InChIInChI=1S/C20H31ClN4O2/c1-5-25-10-6-7-17(25)12-24(14-20(27)23(3)4)13-19(26)22-16-9-8-15(2)18(21)11-16/h8-9,11,17H,5-7,10,12-14H2,1-4H3,(H,22,26)/t17-/m0/s1
InChIKeyGYNJWKXYPVQZKN-KRWDZBQOSA-N
MW394.95 g/mol
LogP2.46
Rot. Bonds8

About N-(3-chloro-4-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]amino]acetamide

N-(3-chloro-4-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]amino]acetamide (PubChem CID 52502615) has the molecular formula C20H31ClN4O2 and a molecular weight of 394.95 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]amino]acetamide
PubChem CID52502615
Molecular FormulaC20H31ClN4O2
Molecular Weight394.95 g/mol
Exact Mass394.21
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]amino]acetamide
SMILESCCN1CCC[C@H]1CN(CC(=O)Nc1ccc(C)c(Cl)c1)CC(=O)N(C)C
InChIInChI=1S/C20H31ClN4O2/c1-5-25-10-6-7-17(25)12-24(14-20(27)23(3)4)13-19(26)22-16-9-8-15(2)18(21)11-16/h8-9,11,17H,5-7,10,12-14H2,1-4H3,(H,22,26)/t17-/m0/s1
InChIKeyGYNJWKXYPVQZKN-KRWDZBQOSA-N
XLogP2.46
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.95
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]amino]acetamide with MolForge

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]thiourea
CID 8748815
2-[1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidin-2-yl]acetic acid
CID 61371894
2-[acetyl(cyclopropyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 113158419
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63642155
N-(3-chloro-4-methylphenyl)-2-[2-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63250254
methyl 2-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]-propylamino]acetate
CID 61035161
N-(3-chloro-4-methylphenyl)-2-[methyl(piperidin-4-yl)amino]acetamide
CID 43607404
N-(3-chloro-4-methylphenyl)-2-[ethyl(3-hydroxypropyl)amino]acetamide
CID 115669605
N-(3-chloro-4-methylphenyl)-2-[(2S)-2-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]acetamide
CID 99802595
N-(3-chloro-4-methylphenyl)-2-[cyclobutyl(2-hydroxyethyl)amino]acetamide
CID 102677060
2-[bis(prop-2-enyl)amino]-N-(3-chloro-4-methylphenyl)acetamide
CID 54818050
N-(4-chloro-3-methylphenyl)-2-[methyl-[[(2R)-1-methylpiperidin-2-yl]methyl]amino]acetamide
CID 124758452

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]amino]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]amino]acetamide (CID 52502615) is N-(3-chloro-4-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]amino]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]amino]acetamide is CCN1CCC[C@H]1CN(CC(=O)Nc1ccc(C)c(Cl)c1)CC(=O)N(C)C.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]amino]acetamide?
The InChIKey is GYNJWKXYPVQZKN-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H31ClN4O2/c1-5-25-10-6-7-17(25)12-24(14-20(27)23(3)4)13-19(26)22-16-9-8-15(2)18(21)11-16/h8-9,11,17H,5-7,10,12-14H2,1-4H3,(H,22,26)/t17-/m0/s1.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]amino]acetamide?
N-(3-chloro-4-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]amino]acetamide has a molecular weight of 394.95 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[[2-(dimethylamino)-2-oxoethyl]-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]amino]acetamide is sourced from PubChem (CID 52502615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).