N-(1-aminohexan-2-yl)-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide

C19H28N4O4 — CID 119667834

IUPACN-(1-aminohexan-2-yl)-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide
SMILESCCCCC(CN)NC(=O)C1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C19H28N4O4/c1-3-4-6-15(12-20)21-18(24)17-7-5-10-22(17)19(25)14-8-9-16(23(26)27)13(2)11-14/h8-9,11,15,17H,3-7,10,12,20H2,1-2H3,(H,21,24)
InChIKeySUNKIUALLGPGKT-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.14
Rot. Bonds8

About N-(1-aminohexan-2-yl)-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide

N-(1-aminohexan-2-yl)-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide (PubChem CID 119667834) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide
PubChem CID119667834
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC NameN-(1-aminohexan-2-yl)-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide
SMILESCCCCC(CN)NC(=O)C1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1
InChIInChI=1S/C19H28N4O4/c1-3-4-6-15(12-20)21-18(24)17-7-5-10-22(17)19(25)14-8-9-16(23(26)27)13(2)11-14/h8-9,11,15,17H,3-7,10,12,20H2,1-2H3,(H,21,24)
InChIKeySUNKIUALLGPGKT-UHFFFAOYSA-N
XLogP2.14
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminohexan-2-yl)-1-(4-bromobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119667208
N-(1-aminohexan-2-yl)-1-(5-nitrothiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 119665699
N-[(2R)-2-(ethylamino)propyl]-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120654300
N-(1-aminohexan-2-yl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 119668412
(2S)-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide
CID 99088136
1-(3-methyl-4-nitrobenzoyl)-N-(2-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 120574093
N-(1-aminobutan-2-yl)-3-methyl-4-nitrobenzamide
CID 65193829
[2-(chloromethyl)azepan-1-yl]-(3-methyl-4-nitrophenyl)methanone
CID 116639277
[2-(bromomethyl)azepan-1-yl]-(3-methyl-4-nitrophenyl)methanone
CID 116639624
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-(3-methyl-4-nitrophenyl)methanone
CID 102679498
(3-chloropiperidin-1-yl)-(3-methyl-4-nitrophenyl)methanone
CID 63393046
N-decan-2-yl-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 166843631

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide (CID 119667834) is N-(1-aminohexan-2-yl)-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide is CCCCC(CN)NC(=O)C1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide?
The InChIKey is SUNKIUALLGPGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-3-4-6-15(12-20)21-18(24)17-7-5-10-22(17)19(25)14-8-9-16(23(26)27)13(2)11-14/h8-9,11,15,17H,3-7,10,12,20H2,1-2H3,(H,21,24).
What are the key properties of N-(1-aminohexan-2-yl)-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide?
N-(1-aminohexan-2-yl)-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-(3-methyl-4-nitrobenzoyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 119667834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).