N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide

C17H26N2O3 — CID 3944138

IUPACN-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
SMILESCCCCNC(=O)C(NC(=O)c1ccc(OC)cc1)C(C)C
InChIInChI=1S/C17H26N2O3/c1-5-6-11-18-17(21)15(12(2)3)19-16(20)13-7-9-14(22-4)10-8-13/h7-10,12,15H,5-6,11H2,1-4H3,(H,18,21)(H,19,20)
InChIKeySVPJAOQEKBRUJY-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.37
Rot. Bonds8

About N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide

N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide (PubChem CID 3944138) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
PubChem CID3944138
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
SMILESCCCCNC(=O)C(NC(=O)c1ccc(OC)cc1)C(C)C
InChIInChI=1S/C17H26N2O3/c1-5-6-11-18-17(21)15(12(2)3)19-16(20)13-7-9-14(22-4)10-8-13/h7-10,12,15H,5-6,11H2,1-4H3,(H,18,21)(H,19,20)
InChIKeySVPJAOQEKBRUJY-UHFFFAOYSA-N
XLogP2.37
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.37
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

N-[(2R)-1-(butylamino)-3-methyl-1-oxobutan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 7182295
4-methoxy-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51157879
N-[1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55660238
4-methoxy-N-[1-[(4-methoxyphenyl)methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51159134
N-[1-(2-butoxy-5-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55675298
N-[1-[3-[4-(dimethylamino)phenyl]propylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 55619465
4-chloro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide
CID 4827657
4-fluoro-N-[3-methyl-1-oxo-1-(pentylamino)butan-2-yl]benzamide
CID 4811350
4-ethoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 119433829
4-fluoro-N-[1-[2-(4-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51157888
N-[1-[2-(4-chlorophenoxy)ethylamino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 134014648
4-methoxy-N-[3-methyl-1-oxo-1-(3-piperazin-1-ylpropylamino)butan-2-yl]benzamide;hydrochloride
CID 119392270

Frequently Asked Questions

What is the IUPAC name of N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide (CID 3944138) is N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide is CCCCNC(=O)C(NC(=O)c1ccc(OC)cc1)C(C)C.
What is the InChIKey of N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide?
The InChIKey is SVPJAOQEKBRUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-5-6-11-18-17(21)15(12(2)3)19-16(20)13-7-9-14(22-4)10-8-13/h7-10,12,15H,5-6,11H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide?
N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide has a molecular weight of 306.41 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(butylamino)-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 3944138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).