N-[1-(dimethylamino)-1-oxopentan-2-yl]-1-[(E,2S,5S)-2-methyl-5-(methylamino)hex-3-enyl]pyrrolidine-2-carboxamide

C20H38N4O2 — CID 161486265

IUPACN-[1-(dimethylamino)-1-oxopentan-2-yl]-1-[(E,2S,5S)-2-methyl-5-(methylamino)hex-3-enyl]pyrrolidine-2-carboxamide
SMILESCCCC(NC(=O)C1CCCN1C[C@@H](C)/C=C/[C@H](C)NC)C(=O)N(C)C
InChIInChI=1S/C20H38N4O2/c1-7-9-17(20(26)23(5)6)22-19(25)18-10-8-13-24(18)14-15(2)11-12-16(3)21-4/h11-12,15-18,21H,7-10,13-14H2,1-6H3,(H,22,25)/b12-11+/t15-,16-,17?,18?/m0/s1
InChIKeyWEZZVAQMCUCBMA-NWHMSDJUSA-N
MW366.55 g/mol
LogP1.62
Rot. Bonds10

About N-[1-(dimethylamino)-1-oxopentan-2-yl]-1-[(E,2S,5S)-2-methyl-5-(methylamino)hex-3-enyl]pyrrolidine-2-carboxamide

N-[1-(dimethylamino)-1-oxopentan-2-yl]-1-[(E,2S,5S)-2-methyl-5-(methylamino)hex-3-enyl]pyrrolidine-2-carboxamide (PubChem CID 161486265) has the molecular formula C20H38N4O2 and a molecular weight of 366.55 g/mol. Its IUPAC name is N-[1-(dimethylamino)-1-oxopentan-2-yl]-1-[(E,2S,5S)-2-methyl-5-(methylamino)hex-3-enyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-1-oxopentan-2-yl]-1-[(E,2S,5S)-2-methyl-5-(methylamino)hex-3-enyl]pyrrolidine-2-carboxamide
PubChem CID161486265
Molecular FormulaC20H38N4O2
Molecular Weight366.55 g/mol
Exact Mass366.30
IUPAC NameN-[1-(dimethylamino)-1-oxopentan-2-yl]-1-[(E,2S,5S)-2-methyl-5-(methylamino)hex-3-enyl]pyrrolidine-2-carboxamide
SMILESCCCC(NC(=O)C1CCCN1C[C@@H](C)/C=C/[C@H](C)NC)C(=O)N(C)C
InChIInChI=1S/C20H38N4O2/c1-7-9-17(20(26)23(5)6)22-19(25)18-10-8-13-24(18)14-15(2)11-12-16(3)21-4/h11-12,15-18,21H,7-10,13-14H2,1-6H3,(H,22,25)/b12-11+/t15-,16-,17?,18?/m0/s1
InChIKeyWEZZVAQMCUCBMA-NWHMSDJUSA-N
XLogP1.62
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.55
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-1-oxopentan-2-yl]-1-[(E,2S,5S)-2-methyl-5-(methylamino)hex-3-enyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-1-oxopentan-2-yl]-1-[(E,2S,5S)-2-methyl-5-(methylamino)hex-3-enyl]pyrrolidine-2-carboxamide (CID 161486265) is N-[1-(dimethylamino)-1-oxopentan-2-yl]-1-[(E,2S,5S)-2-methyl-5-(methylamino)hex-3-enyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-1-oxopentan-2-yl]-1-[(E,2S,5S)-2-methyl-5-(methylamino)hex-3-enyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-1-oxopentan-2-yl]-1-[(E,2S,5S)-2-methyl-5-(methylamino)hex-3-enyl]pyrrolidine-2-carboxamide is CCCC(NC(=O)C1CCCN1C[C@@H](C)/C=C/[C@H](C)NC)C(=O)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)-1-oxopentan-2-yl]-1-[(E,2S,5S)-2-methyl-5-(methylamino)hex-3-enyl]pyrrolidine-2-carboxamide?
The InChIKey is WEZZVAQMCUCBMA-NWHMSDJUSA-N. The full InChI is InChI=1S/C20H38N4O2/c1-7-9-17(20(26)23(5)6)22-19(25)18-10-8-13-24(18)14-15(2)11-12-16(3)21-4/h11-12,15-18,21H,7-10,13-14H2,1-6H3,(H,22,25)/b12-11+/t15-,16-,17?,18?/m0/s1.
What are the key properties of N-[1-(dimethylamino)-1-oxopentan-2-yl]-1-[(E,2S,5S)-2-methyl-5-(methylamino)hex-3-enyl]pyrrolidine-2-carboxamide?
N-[1-(dimethylamino)-1-oxopentan-2-yl]-1-[(E,2S,5S)-2-methyl-5-(methylamino)hex-3-enyl]pyrrolidine-2-carboxamide has a molecular weight of 366.55 g/mol, XLogP of 1.62, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-1-oxopentan-2-yl]-1-[(E,2S,5S)-2-methyl-5-(methylamino)hex-3-enyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 161486265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).