N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide

C19H30ClN3O2 — CID 119661014

IUPACN-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
SMILESCC(C)C(N)CCN(C)C(=O)C(NC(=O)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C19H30ClN3O2/c1-12(2)16(21)10-11-23(5)19(25)17(13(3)4)22-18(24)14-6-8-15(20)9-7-14/h6-9,12-13,16-17H,10-11,21H2,1-5H3,(H,22,24)
InChIKeyBYAKUSDREYAOOO-UHFFFAOYSA-N
MW367.92 g/mol
LogP2.93
Rot. Bonds8

About N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide

N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide (PubChem CID 119661014) has the molecular formula C19H30ClN3O2 and a molecular weight of 367.92 g/mol. Its IUPAC name is N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
PubChem CID119661014
Molecular FormulaC19H30ClN3O2
Molecular Weight367.92 g/mol
Exact Mass367.20
IUPAC NameN-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
SMILESCC(C)C(N)CCN(C)C(=O)C(NC(=O)c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C19H30ClN3O2/c1-12(2)16(21)10-11-23(5)19(25)17(13(3)4)22-18(24)14-6-8-15(20)9-7-14/h6-9,12-13,16-17H,10-11,21H2,1-5H3,(H,22,24)
InChIKeyBYAKUSDREYAOOO-UHFFFAOYSA-N
XLogP2.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.92
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 119657822
N-[4-[(3-amino-4-methylpentyl)-methylamino]-4-oxobutyl]-4-chlorobenzamide
CID 119659439
4-chloro-N-[(2S)-3-methyl-1-[methyl-[(4-methyl-3-pyridinyl)methyl]amino]-1-oxobutan-2-yl]benzamide
CID 100631781
N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 81484430
3-[[2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoyl]-methylamino]propanoic acid
CID 119233010
4-chloro-N-[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]benzamide
CID 7321021
N-[1-[butyl(methyl)amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 78795819
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-(3-amino-4-methylpentyl)-N-methyl-4-(trifluoromethyl)benzamide
CID 81487190
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 95151348
4-chloro-N-[1-(3-hydroxybutylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 111429014

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide?
The IUPAC name of N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide (CID 119661014) is N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide?
The canonical SMILES for N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide is CC(C)C(N)CCN(C)C(=O)C(NC(=O)c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide?
The InChIKey is BYAKUSDREYAOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClN3O2/c1-12(2)16(21)10-11-23(5)19(25)17(13(3)4)22-18(24)14-6-8-15(20)9-7-14/h6-9,12-13,16-17H,10-11,21H2,1-5H3,(H,22,24).
What are the key properties of N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide?
N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide has a molecular weight of 367.92 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-amino-4-methylpentyl)-methylamino]-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide is sourced from PubChem (CID 119661014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).