N-[2-[2-[(3,3-dimethyl-2-methylidenebutyl)amino]hex-1-en-3-ylamino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide

C21H38N4O2 — CID 126560424

IUPACN-[2-[2-[(3,3-dimethyl-2-methylidenebutyl)amino]hex-1-en-3-ylamino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide
SMILESC=C(NCC(=C)C(C)(C)C)C(CCC)NC(=O)CNC(=O)C1CCCN1C
InChIInChI=1S/C21H38N4O2/c1-8-10-17(16(3)22-13-15(2)21(4,5)6)24-19(26)14-23-20(27)18-11-9-12-25(18)7/h17-18,22H,2-3,8-14H2,1,4-7H3,(H,23,27)(H,24,26)
InChIKeyVCLBGXDWUORHED-UHFFFAOYSA-N
MW378.56 g/mol
LogP2.19
Rot. Bonds10

About N-[2-[2-[(3,3-dimethyl-2-methylidenebutyl)amino]hex-1-en-3-ylamino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide

N-[2-[2-[(3,3-dimethyl-2-methylidenebutyl)amino]hex-1-en-3-ylamino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide (PubChem CID 126560424) has the molecular formula C21H38N4O2 and a molecular weight of 378.56 g/mol. Its IUPAC name is N-[2-[2-[(3,3-dimethyl-2-methylidenebutyl)amino]hex-1-en-3-ylamino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-[(3,3-dimethyl-2-methylidenebutyl)amino]hex-1-en-3-ylamino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide
PubChem CID126560424
Molecular FormulaC21H38N4O2
Molecular Weight378.56 g/mol
Exact Mass378.30
IUPAC NameN-[2-[2-[(3,3-dimethyl-2-methylidenebutyl)amino]hex-1-en-3-ylamino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide
SMILESC=C(NCC(=C)C(C)(C)C)C(CCC)NC(=O)CNC(=O)C1CCCN1C
InChIInChI=1S/C21H38N4O2/c1-8-10-17(16(3)22-13-15(2)21(4,5)6)24-19(26)14-23-20(27)18-11-9-12-25(18)7/h17-18,22H,2-3,8-14H2,1,4-7H3,(H,23,27)(H,24,26)
InChIKeyVCLBGXDWUORHED-UHFFFAOYSA-N
XLogP2.19
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[2-[2-[(3,3-dimethyl-2-methylidenebutyl)amino]hex-1-en-3-ylamino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(3,3-dimethyl-2-methylidenebutyl)amino]hex-1-en-3-ylamino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-[2-[(3,3-dimethyl-2-methylidenebutyl)amino]hex-1-en-3-ylamino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide (CID 126560424) is N-[2-[2-[(3,3-dimethyl-2-methylidenebutyl)amino]hex-1-en-3-ylamino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-[2-[(3,3-dimethyl-2-methylidenebutyl)amino]hex-1-en-3-ylamino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-[2-[(3,3-dimethyl-2-methylidenebutyl)amino]hex-1-en-3-ylamino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide is C=C(NCC(=C)C(C)(C)C)C(CCC)NC(=O)CNC(=O)C1CCCN1C.
What is the InChIKey of N-[2-[2-[(3,3-dimethyl-2-methylidenebutyl)amino]hex-1-en-3-ylamino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide?
The InChIKey is VCLBGXDWUORHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O2/c1-8-10-17(16(3)22-13-15(2)21(4,5)6)24-19(26)14-23-20(27)18-11-9-12-25(18)7/h17-18,22H,2-3,8-14H2,1,4-7H3,(H,23,27)(H,24,26).
What are the key properties of N-[2-[2-[(3,3-dimethyl-2-methylidenebutyl)amino]hex-1-en-3-ylamino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide?
N-[2-[2-[(3,3-dimethyl-2-methylidenebutyl)amino]hex-1-en-3-ylamino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide has a molecular weight of 378.56 g/mol, XLogP of 2.19, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(3,3-dimethyl-2-methylidenebutyl)amino]hex-1-en-3-ylamino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 126560424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).