N-butyl-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide

C22H27N3O4 — CID 17226272

IUPACN-butyl-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)CCNC(=O)c1cccc(OC)c1
InChIInChI=1S/C22H27N3O4/c1-3-4-13-23-22(28)18-10-5-6-11-19(18)25-20(26)12-14-24-21(27)16-8-7-9-17(15-16)29-2/h5-11,15H,3-4,12-14H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)
InChIKeyZELYMPGVBGFWSC-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.98
Rot. Bonds10

About N-butyl-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide

N-butyl-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide (PubChem CID 17226272) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-butyl-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide.

Molecular Properties

Compound NameN-butyl-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
PubChem CID17226272
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-butyl-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
SMILESCCCCNC(=O)c1ccccc1NC(=O)CCNC(=O)c1cccc(OC)c1
InChIInChI=1S/C22H27N3O4/c1-3-4-13-23-22(28)18-10-5-6-11-19(18)25-20(26)12-14-24-21(27)16-8-7-9-17(15-16)29-2/h5-11,15H,3-4,12-14H2,1-2H3,(H,23,28)(H,24,27)(H,25,26)
InChIKeyZELYMPGVBGFWSC-UHFFFAOYSA-N
XLogP2.98
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
CID 17226286
2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
CID 17226172
N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17149439
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
N-[3-[2-[(3-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 55577306
methyl 3-[2-(butylcarbamoyl)anilino]-3-oxopropanoate
CID 28638069
3-methoxy-N-tridecylbenzamide
CID 139819898
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate
CID 17191696
N-butyl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17149354
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid
CID 17149330
N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226080

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide?
The IUPAC name of N-butyl-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide (CID 17226272) is N-butyl-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide.
What is the SMILES notation for N-butyl-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide?
The canonical SMILES for N-butyl-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide is CCCCNC(=O)c1ccccc1NC(=O)CCNC(=O)c1cccc(OC)c1.
What is the InChIKey of N-butyl-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide?
The InChIKey is ZELYMPGVBGFWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-3-4-13-23-22(28)18-10-5-6-11-19(18)25-20(26)12-14-24-21(27)16-8-7-9-17(15-16)29-2/h5-11,15H,3-4,12-14H2,1-2H3,(H,23,28)(H,24,27)(H,25,26).
What are the key properties of N-butyl-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide?
N-butyl-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide has a molecular weight of 397.48 g/mol, XLogP of 2.98, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide is sourced from PubChem (CID 17226272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).