(3S)-3-[benzyl(methyl)amino]-N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide

C18H29N3O — CID 164631598

IUPAC(3S)-3-[benzyl(methyl)amino]-N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCCN(C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)C(C)C
InChIInChI=1S/C18H29N3O/c1-5-21(15(2)3)18(22)20-12-11-17(14-20)19(4)13-16-9-7-6-8-10-16/h6-10,15,17H,5,11-14H2,1-4H3/t17-/m0/s1
InChIKeyYCEIWWQFLKEFQM-KRWDZBQOSA-N
MW303.45 g/mol
LogP3.04
Rot. Bonds5

About (3S)-3-[benzyl(methyl)amino]-N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide

(3S)-3-[benzyl(methyl)amino]-N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 164631598) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is (3S)-3-[benzyl(methyl)amino]-N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-[benzyl(methyl)amino]-N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID164631598
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name(3S)-3-[benzyl(methyl)amino]-N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCCN(C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)C(C)C
InChIInChI=1S/C18H29N3O/c1-5-21(15(2)3)18(22)20-12-11-17(14-20)19(4)13-16-9-7-6-8-10-16/h6-10,15,17H,5,11-14H2,1-4H3/t17-/m0/s1
InChIKeyYCEIWWQFLKEFQM-KRWDZBQOSA-N
XLogP3.04
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl(methyl)amino]-N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide
CID 136531482
1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]-2-propan-2-ylsulfanylethanone
CID 95716799
2-amino-1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]ethanone
CID 66567107
1-[4-[benzyl(methyl)amino]piperidin-1-yl]-2-chloroethanone
CID 66567050
(2S)-2-amino-1-[3-[benzyl(propan-2-yl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 66567233
2-amino-1-[(3S)-3-[benzyl(propan-2-yl)amino]pyrrolidin-1-yl]propan-1-one
CID 121226156
1-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]but-2-yn-1-one
CID 42508292
1-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-phenylethanone
CID 174895598
1-[benzyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030695
N-benzyl-1-[(E)-3-phenylprop-2-enoyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 51323600
2-amino-1-[(3R)-3-[benzyl(propan-2-yl)amino]piperidin-1-yl]ethanone
CID 66567137
2-amino-1-[3-[benzyl(cyclopropyl)amino]pyrrolidin-1-yl]propan-1-one
CID 77144157

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[benzyl(methyl)amino]-N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-[benzyl(methyl)amino]-N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide (CID 164631598) is (3S)-3-[benzyl(methyl)amino]-N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-[benzyl(methyl)amino]-N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-[benzyl(methyl)amino]-N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide is CCN(C(=O)N1CC[C@H](N(C)Cc2ccccc2)C1)C(C)C.
What is the InChIKey of (3S)-3-[benzyl(methyl)amino]-N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is YCEIWWQFLKEFQM-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H29N3O/c1-5-21(15(2)3)18(22)20-12-11-17(14-20)19(4)13-16-9-7-6-8-10-16/h6-10,15,17H,5,11-14H2,1-4H3/t17-/m0/s1.
What are the key properties of (3S)-3-[benzyl(methyl)amino]-N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide?
(3S)-3-[benzyl(methyl)amino]-N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[benzyl(methyl)amino]-N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 164631598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).