N-[4-(cyclopropylamino)-4-oxobutyl]-2-ethylpyrrolidine-2-carboxamide

C14H25N3O2 — CID 83073445

IUPACN-[4-(cyclopropylamino)-4-oxobutyl]-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCCCC(=O)NC2CC2)CCCN1
InChIInChI=1S/C14H25N3O2/c1-2-14(8-4-10-16-14)13(19)15-9-3-5-12(18)17-11-6-7-11/h11,16H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyGLOJPRQPKGKMQI-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.69
Rot. Bonds7

About N-[4-(cyclopropylamino)-4-oxobutyl]-2-ethylpyrrolidine-2-carboxamide

N-[4-(cyclopropylamino)-4-oxobutyl]-2-ethylpyrrolidine-2-carboxamide (PubChem CID 83073445) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[4-(cyclopropylamino)-4-oxobutyl]-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropylamino)-4-oxobutyl]-2-ethylpyrrolidine-2-carboxamide
PubChem CID83073445
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-[4-(cyclopropylamino)-4-oxobutyl]-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCCCC(=O)NC2CC2)CCCN1
InChIInChI=1S/C14H25N3O2/c1-2-14(8-4-10-16-14)13(19)15-9-3-5-12(18)17-11-6-7-11/h11,16H,2-10H2,1H3,(H,15,19)(H,17,18)
InChIKeyGLOJPRQPKGKMQI-UHFFFAOYSA-N
XLogP0.69
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(cyclopropylamino)-3-oxopropyl]-2-propylpyrrolidine-2-carboxamide
CID 106975460
2-ethyl-N-[3-(methylamino)-3-oxopropyl]pyrrolidine-2-carboxamide
CID 83071991
N-[2-(cyclopropylamino)-2-oxoethyl]-2-propylpyrrolidine-2-carboxamide
CID 106974234
1-amino-N-[4-(cyclopropylamino)-4-oxobutyl]cyclobutane-1-carboxamide
CID 81168736
N-(azetidin-3-yl)-2-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 130637882
1-[[4-(cyclopropylamino)-4-oxobutyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 79395533
2-ethyl-N-(1-ethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 83071590
2-ethyl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 83079812
N-(1-butylpiperidin-4-yl)-2-ethylpyrrolidine-2-carboxamide
CID 83071563
N-(2-cyclopropyl-2-hydroxyethyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071544
N-[2-(dimethylsulfamoyl)ethyl]-2-ethylpyrrolidine-2-carboxamide
CID 106337546
N-cyclopropyl-4-(ethylcarbamothioylamino)butanamide
CID 115583406

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-[4-(cyclopropylamino)-4-oxobutyl]-2-ethylpyrrolidine-2-carboxamide (CID 83073445) is N-[4-(cyclopropylamino)-4-oxobutyl]-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-(cyclopropylamino)-4-oxobutyl]-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-(cyclopropylamino)-4-oxobutyl]-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)NCCCC(=O)NC2CC2)CCCN1.
What is the InChIKey of N-[4-(cyclopropylamino)-4-oxobutyl]-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is GLOJPRQPKGKMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-2-14(8-4-10-16-14)13(19)15-9-3-5-12(18)17-11-6-7-11/h11,16H,2-10H2,1H3,(H,15,19)(H,17,18).
What are the key properties of N-[4-(cyclopropylamino)-4-oxobutyl]-2-ethylpyrrolidine-2-carboxamide?
N-[4-(cyclopropylamino)-4-oxobutyl]-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylamino)-4-oxobutyl]-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83073445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).