1-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide

C19H29N3O2 — CID 18125232

IUPAC1-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCCc1ccc(C(C)NC(=O)CN2CCCC2C(=O)N(C)C)cc1
InChIInChI=1S/C19H29N3O2/c1-5-15-8-10-16(11-9-15)14(2)20-18(23)13-22-12-6-7-17(22)19(24)21(3)4/h8-11,14,17H,5-7,12-13H2,1-4H3,(H,20,23)
InChIKeyJAHIBYARKYQCQV-UHFFFAOYSA-N
MW331.46 g/mol
LogP1.98
Rot. Bonds6

About 1-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide

1-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 18125232) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID18125232
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCCc1ccc(C(C)NC(=O)CN2CCCC2C(=O)N(C)C)cc1
InChIInChI=1S/C19H29N3O2/c1-5-15-8-10-16(11-9-15)14(2)20-18(23)13-22-12-6-7-17(22)19(24)21(3)4/h8-11,14,17H,5-7,12-13H2,1-4H3,(H,20,23)
InChIKeyJAHIBYARKYQCQV-UHFFFAOYSA-N
XLogP1.98
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 18125238
N,N-dimethyl-1-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 134031662
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-[2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]acetamide
CID 56542249
2-[cycloheptyl(methyl)amino]-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 18291170
(2S)-1-[2-oxo-2-[[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]amino]ethyl]pyrrolidine-2-carboxylic acid
CID 124693969
1-[2-[[(1S)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 8557005
(2R)-1-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]piperidine-2-carboxamide
CID 41075375
N-butan-2-yl-2-[4-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 86923605
N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide
CID 54896208
2-(4-ethylphenyl)-N-[(1S)-1-[4-[(3S)-3-methylpiperidin-1-yl]phenyl]ethyl]acetamide
CID 125054369
N,N-dimethyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 86913220
1-[2-[2-(2,6-difluorophenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 60504716

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 18125232) is 1-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide is CCc1ccc(C(C)NC(=O)CN2CCCC2C(=O)N(C)C)cc1.
What is the InChIKey of 1-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is JAHIBYARKYQCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-5-15-8-10-16(11-9-15)14(2)20-18(23)13-22-12-6-7-17(22)19(24)21(3)4/h8-11,14,17H,5-7,12-13H2,1-4H3,(H,20,23).
What are the key properties of 1-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide?
1-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 18125232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).