N-(3-amino-3-oxopropyl)-2-(4-naphthalen-1-yloxybutanoylamino)benzamide

C24H25N3O4 — CID 56573333

IUPACN-(3-amino-3-oxopropyl)-2-(4-naphthalen-1-yloxybutanoylamino)benzamide
SMILESNC(=O)CCNC(=O)c1ccccc1NC(=O)CCCOc1cccc2ccccc12
InChIInChI=1S/C24H25N3O4/c25-22(28)14-15-26-24(30)19-10-3-4-11-20(19)27-23(29)13-6-16-31-21-12-5-8-17-7-1-2-9-18(17)21/h1-5,7-12H,6,13-16H2,(H2,25,28)(H,26,30)(H,27,29)
InChIKeyUZFVORXXXATDFY-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.24
Rot. Bonds10

About N-(3-amino-3-oxopropyl)-2-(4-naphthalen-1-yloxybutanoylamino)benzamide

N-(3-amino-3-oxopropyl)-2-(4-naphthalen-1-yloxybutanoylamino)benzamide (PubChem CID 56573333) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-2-(4-naphthalen-1-yloxybutanoylamino)benzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-2-(4-naphthalen-1-yloxybutanoylamino)benzamide
PubChem CID56573333
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-(3-amino-3-oxopropyl)-2-(4-naphthalen-1-yloxybutanoylamino)benzamide
SMILESNC(=O)CCNC(=O)c1ccccc1NC(=O)CCCOc1cccc2ccccc12
InChIInChI=1S/C24H25N3O4/c25-22(28)14-15-26-24(30)19-10-3-4-11-20(19)27-23(29)13-6-16-31-21-12-5-8-17-7-1-2-9-18(17)21/h1-5,7-12H,6,13-16H2,(H2,25,28)(H,26,30)(H,27,29)
InChIKeyUZFVORXXXATDFY-UHFFFAOYSA-N
XLogP3.24
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.24
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-[2-(2-methoxyethoxy)-3-pyridinyl]-4-naphthalen-1-yloxybutanamide
CID 56500250
4-naphthalen-1-yloxy-N-(4-oxo-1H-pyridin-3-yl)butanamide
CID 51118907
N-[3-(carbamoylamino)phenyl]-4-naphthalen-1-yloxybutanamide
CID 55706773
N-[3-oxo-3-(2-phenoxyanilino)propyl]naphthalene-1-carboxamide
CID 169183116
N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]naphthalene-1-carboxamide
CID 108541808
N,N'-bis[2-(3-methoxypropylcarbamoyl)phenyl]hexanediamide
CID 17148582
2-chloro-N-(2-naphthalen-1-yloxyethyl)benzamide
CID 19174581
N-(2-aminoethyl)-2-(4-ethoxybutanoylamino)benzamide
CID 107000016
N-(3-amino-3-oxopropyl)-2-[[2-(4-phenylmethoxyphenoxy)acetyl]amino]benzamide
CID 56573020
4-(2,4-dichlorophenoxy)-N-naphthalen-1-ylbutanamide
CID 2177409
N-(3-amino-3-oxopropyl)-2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 56516276
N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-2-(4-naphthalen-1-yloxybutanoylamino)benzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-2-(4-naphthalen-1-yloxybutanoylamino)benzamide (CID 56573333) is N-(3-amino-3-oxopropyl)-2-(4-naphthalen-1-yloxybutanoylamino)benzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-2-(4-naphthalen-1-yloxybutanoylamino)benzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-2-(4-naphthalen-1-yloxybutanoylamino)benzamide is NC(=O)CCNC(=O)c1ccccc1NC(=O)CCCOc1cccc2ccccc12.
What is the InChIKey of N-(3-amino-3-oxopropyl)-2-(4-naphthalen-1-yloxybutanoylamino)benzamide?
The InChIKey is UZFVORXXXATDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c25-22(28)14-15-26-24(30)19-10-3-4-11-20(19)27-23(29)13-6-16-31-21-12-5-8-17-7-1-2-9-18(17)21/h1-5,7-12H,6,13-16H2,(H2,25,28)(H,26,30)(H,27,29).
What are the key properties of N-(3-amino-3-oxopropyl)-2-(4-naphthalen-1-yloxybutanoylamino)benzamide?
N-(3-amino-3-oxopropyl)-2-(4-naphthalen-1-yloxybutanoylamino)benzamide has a molecular weight of 419.48 g/mol, XLogP of 3.24, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-2-(4-naphthalen-1-yloxybutanoylamino)benzamide is sourced from PubChem (CID 56573333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).