N-butyl-4-[2-(2-methylphenoxy)propanoylamino]benzamide

C21H26N2O3 — CID 17195203

IUPACN-butyl-4-[2-(2-methylphenoxy)propanoylamino]benzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)C(C)Oc2ccccc2C)cc1
InChIInChI=1S/C21H26N2O3/c1-4-5-14-22-21(25)17-10-12-18(13-11-17)23-20(24)16(3)26-19-9-7-6-8-15(19)2/h6-13,16H,4-5,14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyBAUMKISZFJOIQP-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.93
Rot. Bonds8

About N-butyl-4-[2-(2-methylphenoxy)propanoylamino]benzamide

N-butyl-4-[2-(2-methylphenoxy)propanoylamino]benzamide (PubChem CID 17195203) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-butyl-4-[2-(2-methylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-butyl-4-[2-(2-methylphenoxy)propanoylamino]benzamide
PubChem CID17195203
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC NameN-butyl-4-[2-(2-methylphenoxy)propanoylamino]benzamide
SMILESCCCCNC(=O)c1ccc(NC(=O)C(C)Oc2ccccc2C)cc1
InChIInChI=1S/C21H26N2O3/c1-4-5-14-22-21(25)17-10-12-18(13-11-17)23-20(24)16(3)26-19-9-7-6-8-15(19)2/h6-13,16H,4-5,14H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyBAUMKISZFJOIQP-UHFFFAOYSA-N
XLogP3.93
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.93
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-[4-[2-(2-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235390
N-(2-methoxyethyl)-4-[2-(2-methoxyphenoxy)propanoylamino]benzamide
CID 17218256
(2R)-N-(4-hydroxyphenyl)-2-(2-methylphenoxy)propanamide
CID 837411
2-(2-methylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340229
N-[4-[[2-(2-methylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide
CID 4931723
4-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide
CID 17218775
N-(4-butylphenyl)-2-(2,3-dimethylphenoxy)propanamide
CID 43905153
(2S)-N-butyl-2-(2-methylphenoxy)butanamide
CID 30398295
N-[4-(butylcarbamoyl)phenyl]-2-methoxybenzamide
CID 17195196
2-(2-methylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 17196352
(2S)-2-(2-methylphenoxy)-N-[3-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]phenyl]propanamide
CID 1019898
hexyl 4-[2-(2,3-dimethylphenoxy)propanoylamino]benzoate
CID 53266719

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-[2-(2-methylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-butyl-4-[2-(2-methylphenoxy)propanoylamino]benzamide (CID 17195203) is N-butyl-4-[2-(2-methylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-butyl-4-[2-(2-methylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-butyl-4-[2-(2-methylphenoxy)propanoylamino]benzamide is CCCCNC(=O)c1ccc(NC(=O)C(C)Oc2ccccc2C)cc1.
What is the InChIKey of N-butyl-4-[2-(2-methylphenoxy)propanoylamino]benzamide?
The InChIKey is BAUMKISZFJOIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-4-5-14-22-21(25)17-10-12-18(13-11-17)23-20(24)16(3)26-19-9-7-6-8-15(19)2/h6-13,16H,4-5,14H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-butyl-4-[2-(2-methylphenoxy)propanoylamino]benzamide?
N-butyl-4-[2-(2-methylphenoxy)propanoylamino]benzamide has a molecular weight of 354.45 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-[2-(2-methylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 17195203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).