(3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide

C16H24N4O2 — CID 94577627

IUPAC(3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide
SMILESCN(CCNC(=O)N1CC[C@@H](C(N)=O)C1)Cc1ccccc1
InChIInChI=1S/C16H24N4O2/c1-19(11-13-5-3-2-4-6-13)10-8-18-16(22)20-9-7-14(12-20)15(17)21/h2-6,14H,7-12H2,1H3,(H2,17,21)(H,18,22)/t14-/m1/s1
InChIKeyWGACSYRDUPHMQC-CQSZACIVSA-N
MW304.39 g/mol
LogP0.64
Rot. Bonds6

About (3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide

(3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide (PubChem CID 94577627) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide
PubChem CID94577627
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name(3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide
SMILESCN(CCNC(=O)N1CC[C@@H](C(N)=O)C1)Cc1ccccc1
InChIInChI=1S/C16H24N4O2/c1-19(11-13-5-3-2-4-6-13)10-8-18-16(22)20-9-7-14(12-20)15(17)21/h2-6,14H,7-12H2,1H3,(H2,17,21)(H,18,22)/t14-/m1/s1
InChIKeyWGACSYRDUPHMQC-CQSZACIVSA-N
XLogP0.64
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-aminopropanoyl]-N-[2-[benzyl(methyl)amino]ethyl]piperidine-4-carboxamide
CID 119894122
N-[2-[benzyl(methyl)amino]ethyl]-1-(6-piperidin-1-ylpyridazin-3-yl)piperidine-4-carboxamide
CID 50772057
N-[2-[(4-fluorophenyl)methyl-methylamino]ethyl]-4-hydroxypiperidine-1-carboxamide
CID 122145910
N-[3-[benzyl(methyl)amino]propyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 55529899
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
1-N-(4-phenylbutan-2-yl)piperidine-1,4-dicarboxamide
CID 51074335
3-amino-N-[2-[benzyl(methyl)amino]ethyl]cyclopentane-1-carboxamide
CID 119862236
benzyl (3R)-3-carbamoylpyrrolidine-1-carboxylate
CID 27281872
4-N-[2-[benzyl(methyl)amino]ethyl]-1-N-(1-pyridin-2-ylpyrrolidin-3-yl)piperidine-1,4-dicarboxamide
CID 166376823
(3S)-N-[2-[benzyl(methyl)amino]ethyl]-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxamide
CID 97043409
benzyl 4-[2-[ethyl(methyl)amino]ethylcarbamoyl]piperidine-1-carboxylate
CID 60592903
1-[benzyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030695

Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide?
The IUPAC name of (3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide (CID 94577627) is (3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide is CN(CCNC(=O)N1CC[C@@H](C(N)=O)C1)Cc1ccccc1.
What is the InChIKey of (3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide?
The InChIKey is WGACSYRDUPHMQC-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-19(11-13-5-3-2-4-6-13)10-8-18-16(22)20-9-7-14(12-20)15(17)21/h2-6,14H,7-12H2,1H3,(H2,17,21)(H,18,22)/t14-/m1/s1.
What are the key properties of (3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide?
(3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-[2-[benzyl(methyl)amino]ethyl]pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 94577627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).