N-(1-aminohexan-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

C17H24ClN3O2 — CID 119668556

IUPACN-(1-aminohexan-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCC(CN)NC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H24ClN3O2/c1-2-3-4-14(10-19)20-17(23)12-9-16(22)21(11-12)15-7-5-13(18)6-8-15/h5-8,12,14H,2-4,9-11,19H2,1H3,(H,20,23)
InChIKeyOXRUIAUFWSLNDD-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.33
Rot. Bonds7

About N-(1-aminohexan-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide

N-(1-aminohexan-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 119668556) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID119668556
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC NameN-(1-aminohexan-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCCCC(CN)NC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H24ClN3O2/c1-2-3-4-14(10-19)20-17(23)12-9-16(22)21(11-12)15-7-5-13(18)6-8-15/h5-8,12,14H,2-4,9-11,19H2,1H3,(H,20,23)
InChIKeyOXRUIAUFWSLNDD-UHFFFAOYSA-N
XLogP2.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 119667956
(3S)-1-(4-chlorophenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 774003
(3R)-1-(4-chlorophenyl)-N-[(2S)-6-methylheptan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9391280
N-(1-aminohexan-2-yl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 119668568
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952
(2S)-2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119238025
N-(1-amino-4-methylpentan-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119588603
2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-ethylsulfonylbutanoic acid
CID 108800173
(3R)-N-(4-butoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2253384
N-(4-butoxyphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2856431
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42650789
1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbohydrazide
CID 4002741

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide (CID 119668556) is N-(1-aminohexan-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is CCCCC(CN)NC(=O)C1CC(=O)N(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-(1-aminohexan-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OXRUIAUFWSLNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-2-3-4-14(10-19)20-17(23)12-9-16(22)21(11-12)15-7-5-13(18)6-8-15/h5-8,12,14H,2-4,9-11,19H2,1H3,(H,20,23).
What are the key properties of N-(1-aminohexan-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide?
N-(1-aminohexan-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 337.85 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119668556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).