N-[3-[2-[(3-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide

C28H25N3O4 — CID 55577306

IUPACN-[3-[2-[(3-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)CCNC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C28H25N3O4/c1-35-23-10-6-9-22(18-23)30-28(34)24-11-4-5-12-25(24)31-26(32)15-16-29-27(33)21-14-13-19-7-2-3-8-20(19)17-21/h2-14,17-18H,15-16H2,1H3,(H,29,33)(H,30,34)(H,31,32)
InChIKeyVVXYAUONDPTVHN-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.86
Rot. Bonds8

About N-[3-[2-[(3-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide

N-[3-[2-[(3-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide (PubChem CID 55577306) has the molecular formula C28H25N3O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[3-[2-[(3-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[(3-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
PubChem CID55577306
Molecular FormulaC28H25N3O4
Molecular Weight467.53 g/mol
Exact Mass467.18
IUPAC NameN-[3-[2-[(3-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)CCNC(=O)c2ccc3ccccc3c2)c1
InChIInChI=1S/C28H25N3O4/c1-35-23-10-6-9-22(18-23)30-28(34)24-11-4-5-12-25(24)31-26(32)15-16-29-27(33)21-14-13-19-7-2-3-8-20(19)17-21/h2-14,17-18H,15-16H2,1H3,(H,29,33)(H,30,34)(H,31,32)
InChIKeyVVXYAUONDPTVHN-UHFFFAOYSA-N
XLogP4.86
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
CID 17226172
N-(3-methoxyphenyl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]benzamide
CID 55342717
N-butyl-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
CID 17226272
2-[[4-(4-chlorophenyl)-4-oxobutanoyl]amino]-N-(3-methoxyphenyl)benzamide
CID 55343011
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
N-(3-ethoxypropyl)-2-[3-[(3-methoxybenzoyl)amino]propanoylamino]benzamide
CID 17226286
2-[3-(2-ethoxyphenyl)propanoylamino]-N-(3-methoxyphenyl)benzamide
CID 55380656
2-[[2-(2-fluorophenyl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 2516706
N-(3-methoxyphenyl)-2-[3-(3-methylphenyl)propanoylamino]benzamide
CID 55456678
3-benzamido-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 55630453
methyl 2-[3-[(3,5-dimethoxybenzoyl)amino]propanoylamino]benzoate
CID 17191696
N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226080

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(3-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide?
The IUPAC name of N-[3-[2-[(3-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide (CID 55577306) is N-[3-[2-[(3-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[3-[2-[(3-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[3-[2-[(3-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide is COc1cccc(NC(=O)c2ccccc2NC(=O)CCNC(=O)c2ccc3ccccc3c2)c1.
What is the InChIKey of N-[3-[2-[(3-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide?
The InChIKey is VVXYAUONDPTVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O4/c1-35-23-10-6-9-22(18-23)30-28(34)24-11-4-5-12-25(24)31-26(32)15-16-29-27(33)21-14-13-19-7-2-3-8-20(19)17-21/h2-14,17-18H,15-16H2,1H3,(H,29,33)(H,30,34)(H,31,32).
What are the key properties of N-[3-[2-[(3-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide?
N-[3-[2-[(3-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 4.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(3-methoxyphenyl)carbamoyl]anilino]-3-oxopropyl]naphthalene-2-carboxamide is sourced from PubChem (CID 55577306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).