N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-4-butoxybenzamide

C23H29N3O4 — CID 46468132

IUPACN-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NC(C)c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C23H29N3O4/c1-4-5-13-30-21-11-9-18(10-12-21)23(29)24-15-22(28)25-16(2)19-7-6-8-20(14-19)26-17(3)27/h6-12,14,16H,4-5,13,15H2,1-3H3,(H,24,29)(H,25,28)(H,26,27)
InChIKeyCQRYERHNSODDGF-UHFFFAOYSA-N
MW411.50 g/mol
LogP3.43
Rot. Bonds10

About N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-4-butoxybenzamide

N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-4-butoxybenzamide (PubChem CID 46468132) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-4-butoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-4-butoxybenzamide
PubChem CID46468132
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC NameN-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)NCC(=O)NC(C)c2cccc(NC(C)=O)c2)cc1
InChIInChI=1S/C23H29N3O4/c1-4-5-13-30-21-11-9-18(10-12-21)23(29)24-15-22(28)25-16(2)19-7-6-8-20(14-19)26-17(3)27/h6-12,14,16H,4-5,13,15H2,1-3H3,(H,24,29)(H,25,28)(H,26,27)
InChIKeyCQRYERHNSODDGF-UHFFFAOYSA-N
XLogP3.43
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 53.43
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-[1-(3-phenoxypropylcarbamoylamino)ethyl]phenyl]acetamide
CID 51113600
N-[2-[[(1R)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-4-butoxybenzamide
CID 9366881
N-[1-(3-acetamidophenyl)ethyl]-2-(4-bromophenoxy)acetamide
CID 46580359
N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 46580612
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
4-butoxy-N-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]benzamide
CID 7973711
N-[2-[1-(3-benzamidophenyl)ethylamino]-2-oxoethyl]-3-fluorobenzamide
CID 47035362
methyl 2-[[2-[(4-butoxybenzoyl)amino]acetyl]amino]-3-hydroxypropanoate
CID 75413045
N-[1-(3-acetamidophenyl)ethyl]benzamide
CID 46468162
4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
CID 24677699
2-(4-butoxyanilino)-N-(1-phenylethyl)acetamide
CID 54820323
N-[3-[(1S)-1-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]phenyl]benzamide
CID 51727122

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-4-butoxybenzamide?
The IUPAC name of N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-4-butoxybenzamide (CID 46468132) is N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-4-butoxybenzamide.
What is the SMILES notation for N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-4-butoxybenzamide?
The canonical SMILES for N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-4-butoxybenzamide is CCCCOc1ccc(C(=O)NCC(=O)NC(C)c2cccc(NC(C)=O)c2)cc1.
What is the InChIKey of N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-4-butoxybenzamide?
The InChIKey is CQRYERHNSODDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-4-5-13-30-21-11-9-18(10-12-21)23(29)24-15-22(28)25-16(2)19-7-6-8-20(14-19)26-17(3)27/h6-12,14,16H,4-5,13,15H2,1-3H3,(H,24,29)(H,25,28)(H,26,27).
What are the key properties of N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-4-butoxybenzamide?
N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-4-butoxybenzamide has a molecular weight of 411.50 g/mol, XLogP of 3.43, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-acetamidophenyl)ethylamino]-2-oxoethyl]-4-butoxybenzamide is sourced from PubChem (CID 46468132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).