(3R)-N-(cyclopropylmethyl)-1-[2-(dimethylamino)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide

C16H29N3O2 — CID 95769107

IUPAC(3R)-N-(cyclopropylmethyl)-1-[2-(dimethylamino)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCN(CC1CC1)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1
InChIInChI=1S/C16H29N3O2/c1-4-7-19(11-13-5-6-13)16(21)14-10-15(20)18(12-14)9-8-17(2)3/h13-14H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyNSWHZUHOVIVCTD-CQSZACIVSA-N
MW295.43 g/mol
LogP1.05
Rot. Bonds8

About (3R)-N-(cyclopropylmethyl)-1-[2-(dimethylamino)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide

(3R)-N-(cyclopropylmethyl)-1-[2-(dimethylamino)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide (PubChem CID 95769107) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is (3R)-N-(cyclopropylmethyl)-1-[2-(dimethylamino)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(cyclopropylmethyl)-1-[2-(dimethylamino)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
PubChem CID95769107
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name(3R)-N-(cyclopropylmethyl)-1-[2-(dimethylamino)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCN(CC1CC1)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1
InChIInChI=1S/C16H29N3O2/c1-4-7-19(11-13-5-6-13)16(21)14-10-15(20)18(12-14)9-8-17(2)3/h13-14H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyNSWHZUHOVIVCTD-CQSZACIVSA-N
XLogP1.05
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxypropyl)-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 113182555
1-[2-(dimethylamino)ethyl]-N-methyl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119552395
N-(3-amino-2,2-dimethylpropyl)-1-[2-(dimethylamino)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119654808
(3S)-1-(2-methoxyethyl)-N-[(1-methylpiperidin-4-yl)methyl]-5-oxo-N-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 25456727
(3R)-1-benzyl-5-oxo-N,N-dipropylpyrrolidine-3-carboxamide
CID 93017351
(3R)-1-butyl-N,N-bis(2-cyanoethyl)-5-oxopyrrolidine-3-carboxamide
CID 9399767
(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 735293
1-butyl-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 17082660
N-(1,1-dioxothiolan-3-yl)-N-methyl-5-oxo-1-pentylpyrrolidine-3-carboxamide
CID 113185684
1-[2-(dimethylamino)ethyl]-N-methyl-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 167906316
1-[2-(dimethylamino)ethyl]-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119451954
(1R)-N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
CID 94459977

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(cyclopropylmethyl)-1-[2-(dimethylamino)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(cyclopropylmethyl)-1-[2-(dimethylamino)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide (CID 95769107) is (3R)-N-(cyclopropylmethyl)-1-[2-(dimethylamino)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(cyclopropylmethyl)-1-[2-(dimethylamino)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(cyclopropylmethyl)-1-[2-(dimethylamino)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide is CCCN(CC1CC1)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1.
What is the InChIKey of (3R)-N-(cyclopropylmethyl)-1-[2-(dimethylamino)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide?
The InChIKey is NSWHZUHOVIVCTD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-4-7-19(11-13-5-6-13)16(21)14-10-15(20)18(12-14)9-8-17(2)3/h13-14H,4-12H2,1-3H3/t14-/m1/s1.
What are the key properties of (3R)-N-(cyclopropylmethyl)-1-[2-(dimethylamino)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide?
(3R)-N-(cyclopropylmethyl)-1-[2-(dimethylamino)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(cyclopropylmethyl)-1-[2-(dimethylamino)ethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 95769107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).