N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-4-chlorobenzamide

C18H28ClN3O2 — CID 119659439

IUPACN-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-4-chlorobenzamide
SMILESCC(C)C(N)CCN(C)C(=O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H28ClN3O2/c1-13(2)16(20)10-12-22(3)17(23)5-4-11-21-18(24)14-6-8-15(19)9-7-14/h6-9,13,16H,4-5,10-12,20H2,1-3H3,(H,21,24)
InChIKeyLJAAIGRRCSEWGR-UHFFFAOYSA-N
MW353.89 g/mol
LogP2.68
Rot. Bonds9

About N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-4-chlorobenzamide

N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-4-chlorobenzamide (PubChem CID 119659439) has the molecular formula C18H28ClN3O2 and a molecular weight of 353.89 g/mol. Its IUPAC name is N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-4-chlorobenzamide
PubChem CID119659439
Molecular FormulaC18H28ClN3O2
Molecular Weight353.89 g/mol
Exact Mass353.19
IUPAC NameN-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-4-chlorobenzamide
SMILESCC(C)C(N)CCN(C)C(=O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H28ClN3O2/c1-13(2)16(20)10-12-22(3)17(23)5-4-11-21-18(24)14-6-8-15(19)9-7-14/h6-9,13,16H,4-5,10-12,20H2,1-3H3,(H,21,24)
InChIKeyLJAAIGRRCSEWGR-UHFFFAOYSA-N
XLogP2.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.89
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[4-[methyl(2-methylpropyl)amino]-4-oxobutyl]benzamide
CID 134058645
4-chloro-N-[4-[2-cyanoethyl(methyl)amino]-4-oxobutyl]benzamide
CID 78796616
N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 119661014
N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 119659545
N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 81484430
N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27665840
N-[2-[(3-amino-4-methylpentyl)-methylamino]-2-oxoethyl]-3,4-dichlorobenzamide;hydrochloride
CID 119658374
2-[4-[(4-chlorobenzoyl)amino]butanoyl-(2-methylpropyl)amino]acetic acid
CID 119193162
N-(3-amino-4-methylpentyl)-4-(3,4-difluorophenyl)-N-methylbutanamide
CID 119659377
N-(3-amino-4-methylpentyl)-N-methyl-3-[(2-phenylacetyl)amino]propanamide;hydrochloride
CID 119657358
4-chloro-N-[4-[[(1S)-1-(3,4-difluorophenyl)ethyl]-methylamino]-4-oxobutyl]benzamide
CID 31350253
4-chloro-N-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]-methylamino]-4-oxobutyl]benzamide
CID 31350252

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-4-chlorobenzamide?
The IUPAC name of N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-4-chlorobenzamide (CID 119659439) is N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-4-chlorobenzamide.
What is the SMILES notation for N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-4-chlorobenzamide?
The canonical SMILES for N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-4-chlorobenzamide is CC(C)C(N)CCN(C)C(=O)CCCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-4-chlorobenzamide?
The InChIKey is LJAAIGRRCSEWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN3O2/c1-13(2)16(20)10-12-22(3)17(23)5-4-11-21-18(24)14-6-8-15(19)9-7-14/h6-9,13,16H,4-5,10-12,20H2,1-3H3,(H,21,24).
What are the key properties of N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-4-chlorobenzamide?
N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-4-chlorobenzamide has a molecular weight of 353.89 g/mol, XLogP of 2.68, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-4-chlorobenzamide is sourced from PubChem (CID 119659439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).