4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide

C23H30N2O3 — CID 24677699

IUPAC4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C23H30N2O3/c1-3-4-16-28-21-14-12-20(13-15-21)23(27)24-17-22(26)25-18(2)10-11-19-8-6-5-7-9-19/h5-9,12-15,18H,3-4,10-11,16-17H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyOXEMWRXJSBFZFT-UHFFFAOYSA-N
MW382.50 g/mol
LogP3.73
Rot. Bonds11

About 4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide

4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide (PubChem CID 24677699) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is 4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
PubChem CID24677699
Molecular FormulaC23H30N2O3
Molecular Weight382.50 g/mol
Exact Mass382.23
IUPAC Name4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NC(C)CCc2ccccc2)cc1
InChIInChI=1S/C23H30N2O3/c1-3-4-16-28-21-14-12-20(13-15-21)23(27)24-17-22(26)25-18(2)10-11-19-8-6-5-7-9-19/h5-9,12-15,18H,3-4,10-11,16-17H2,1-2H3,(H,24,27)(H,25,26)
InChIKeyOXEMWRXJSBFZFT-UHFFFAOYSA-N
XLogP3.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 53.73
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-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]-4-phenoxybenzamide
CID 25483291
4-butoxy-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 29263738
[(2R)-1-oxo-1-[[(2S)-4-phenylbutan-2-yl]amino]propan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7899514
4-ethoxy-N-[2-(heptan-2-ylamino)-2-oxoethyl]benzamide
CID 46603352
2-[(2-phenoxyacetyl)amino]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 2128560
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 42962919
N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide
CID 25172177
N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-phenylmethoxybenzamide
CID 9300981
N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 27672476
2-[[4-(2-phenylethoxy)benzoyl]amino]acetic acid
CID 66812668
N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-4-butoxybenzamide
CID 9366881
[2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-(4-acetylphenoxy)butanoate
CID 7196448

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide?
The IUPAC name of 4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide (CID 24677699) is 4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide is CCCCOc1ccc(C(=O)NCC(=O)NC(C)CCc2ccccc2)cc1.
What is the InChIKey of 4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide?
The InChIKey is OXEMWRXJSBFZFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-3-4-16-28-21-14-12-20(13-15-21)23(27)24-17-22(26)25-18(2)10-11-19-8-6-5-7-9-19/h5-9,12-15,18H,3-4,10-11,16-17H2,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide?
4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide has a molecular weight of 382.50 g/mol, XLogP of 3.73, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 24677699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).