(3S)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide

C16H23N3O2 — CID 94675568

IUPAC(3S)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(N2C[C@@H](C(N)=O)CC2=O)c(C)c1
InChIInChI=1S/C16H23N3O2/c1-4-18(5-2)13-6-7-14(11(3)8-13)19-10-12(16(17)21)9-15(19)20/h6-8,12H,4-5,9-10H2,1-3H3,(H2,17,21)/t12-/m0/s1
InChIKeyDFWMUBVQSWCBMA-LBPRGKRZSA-N
MW289.38 g/mol
LogP1.68
Rot. Bonds5

About (3S)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 94675568) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is (3S)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID94675568
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name(3S)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN(CC)c1ccc(N2C[C@@H](C(N)=O)CC2=O)c(C)c1
InChIInChI=1S/C16H23N3O2/c1-4-18(5-2)13-6-7-14(11(3)8-13)19-10-12(16(17)21)9-15(19)20/h6-8,12H,4-5,9-10H2,1-3H3,(H2,17,21)/t12-/m0/s1
InChIKeyDFWMUBVQSWCBMA-LBPRGKRZSA-N
XLogP1.68
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carbonyl chloride
CID 94675569
N-cyclopentyl-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 113191534
N-(4-chlorophenyl)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide
CID 113191590
1-[4-(diethylamino)-2-methylphenyl]-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113191577
1-[4-(diethylamino)-2-methylphenyl]-N-[(2-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113191550
4-(4-carbamoyl-2-oxopyrrolidin-1-yl)-3-methylbenzoic acid
CID 168696744
(3R)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 100804799
1-(4,5-dichloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696708
1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696695
ethyl (3R)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075680
1-(2-bromo-4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696281
N-[4-(diethylamino)-2-methylphenyl]-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186212

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide (CID 94675568) is (3S)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide is CCN(CC)c1ccc(N2C[C@@H](C(N)=O)CC2=O)c(C)c1.
What is the InChIKey of (3S)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DFWMUBVQSWCBMA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-4-18(5-2)13-6-7-14(11(3)8-13)19-10-12(16(17)21)9-15(19)20/h6-8,12H,4-5,9-10H2,1-3H3,(H2,17,21)/t12-/m0/s1.
What are the key properties of (3S)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(diethylamino)-2-methylphenyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 94675568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).