N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide

C23H30N2O4 — CID 17205110

IUPACN-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H30N2O4/c1-16(2)18-8-12-21(13-9-18)29-17(3)22(26)25-20-10-6-19(7-11-20)23(27)24-14-5-15-28-4/h6-13,16-17H,5,14-15H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyZBRLXJJRWKDFCQ-UHFFFAOYSA-N
MW398.50 g/mol
LogP3.98
Rot. Bonds10

About N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide

N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide (PubChem CID 17205110) has the molecular formula C23H30N2O4 and a molecular weight of 398.50 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
PubChem CID17205110
Molecular FormulaC23H30N2O4
Molecular Weight398.50 g/mol
Exact Mass398.22
IUPAC NameN-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
SMILESCOCCCNC(=O)c1ccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H30N2O4/c1-16(2)18-8-12-21(13-9-18)29-17(3)22(26)25-20-10-6-19(7-11-20)23(27)24-14-5-15-28-4/h6-13,16-17H,5,14-15H2,1-4H3,(H,24,27)(H,25,26)
InChIKeyZBRLXJJRWKDFCQ-UHFFFAOYSA-N
XLogP3.98
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.50
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17234372
4-[2-(4-chlorophenoxy)propanoylamino]-N-(2-methoxyethyl)benzamide
CID 17218257
N-(2-methoxyethyl)-4-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 17218246
N-[2-(diethylamino)ethyl]-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17229797
N-(2-methoxyethyl)-4-(2-phenoxypropanoylamino)benzamide
CID 17218253
(2S)-N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238804
N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953600
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611
2-[4-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367457
N-(2-acetamidoethyl)-4-[2-(4-fluorophenoxy)propanoylamino]benzamide
CID 121062171
N-(3-methoxypropyl)-N'-(4-propan-2-ylphenyl)oxamide
CID 624152
[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl] 2-[(4-propan-2-yloxybenzoyl)amino]acetate
CID 42121890

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide?
The IUPAC name of N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide (CID 17205110) is N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide is COCCCNC(=O)c1ccc(NC(=O)C(C)Oc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide?
The InChIKey is ZBRLXJJRWKDFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4/c1-16(2)18-8-12-21(13-9-18)29-17(3)22(26)25-20-10-6-19(7-11-20)23(27)24-14-5-15-28-4/h6-13,16-17H,5,14-15H2,1-4H3,(H,24,27)(H,25,26).
What are the key properties of N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide?
N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide has a molecular weight of 398.50 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide is sourced from PubChem (CID 17205110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).