N-butan-2-yl-4-(5-methoxypentanoylamino)benzamide

C17H26N2O3 — CID 126801750

IUPACN-butan-2-yl-4-(5-methoxypentanoylamino)benzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)CCCCOC)cc1
InChIInChI=1S/C17H26N2O3/c1-4-13(2)18-17(21)14-8-10-15(11-9-14)19-16(20)7-5-6-12-22-3/h8-11,13H,4-7,12H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyOZXYHRXOPDAFGN-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.97
Rot. Bonds9

About N-butan-2-yl-4-(5-methoxypentanoylamino)benzamide

N-butan-2-yl-4-(5-methoxypentanoylamino)benzamide (PubChem CID 126801750) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-butan-2-yl-4-(5-methoxypentanoylamino)benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-(5-methoxypentanoylamino)benzamide
PubChem CID126801750
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-butan-2-yl-4-(5-methoxypentanoylamino)benzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)CCCCOC)cc1
InChIInChI=1S/C17H26N2O3/c1-4-13(2)18-17(21)14-8-10-15(11-9-14)19-16(20)7-5-6-12-22-3/h8-11,13H,4-7,12H2,1-3H3,(H,18,21)(H,19,20)
InChIKeyOZXYHRXOPDAFGN-UHFFFAOYSA-N
XLogP2.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.97
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,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]decanediamide
CID 17201350
N,N'-bis[4-(butan-2-ylcarbamoyl)phenyl]pentanediamide
CID 17201639
5-[4-(butan-2-ylcarbamoyl)anilino]-5-oxopentanoic acid
CID 17201277
methyl 4-[4-(butan-2-ylcarbamoyl)anilino]-4-oxobutanoate
CID 17201246
N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide
CID 17218594
4-acetamido-N-butan-2-ylbenzamide
CID 4540233
4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide
CID 79199156
methyl 4-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17201378
N-butan-2-yl-4-(3-phenylpropanoylamino)benzamide
CID 17201204
N-butan-2-yl-4-[[2-(3-methoxypropylamino)-2-oxoethyl]amino]benzamide
CID 54834375
N-[(2S)-butan-2-yl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 42427383
4-(butanoylamino)-N-[(2R)-pentan-2-yl]benzamide
CID 7318150

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(5-methoxypentanoylamino)benzamide?
The IUPAC name of N-butan-2-yl-4-(5-methoxypentanoylamino)benzamide (CID 126801750) is N-butan-2-yl-4-(5-methoxypentanoylamino)benzamide.
What is the SMILES notation for N-butan-2-yl-4-(5-methoxypentanoylamino)benzamide?
The canonical SMILES for N-butan-2-yl-4-(5-methoxypentanoylamino)benzamide is CCC(C)NC(=O)c1ccc(NC(=O)CCCCOC)cc1.
What is the InChIKey of N-butan-2-yl-4-(5-methoxypentanoylamino)benzamide?
The InChIKey is OZXYHRXOPDAFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-13(2)18-17(21)14-8-10-15(11-9-14)19-16(20)7-5-6-12-22-3/h8-11,13H,4-7,12H2,1-3H3,(H,18,21)(H,19,20).
What are the key properties of N-butan-2-yl-4-(5-methoxypentanoylamino)benzamide?
N-butan-2-yl-4-(5-methoxypentanoylamino)benzamide has a molecular weight of 306.41 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(5-methoxypentanoylamino)benzamide is sourced from PubChem (CID 126801750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).