4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]benzamide

C23H29N3O4 — CID 7288079

IUPAC4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]benzamide
SMILESCCOCCCNC(=O)[C@H](NC(=O)c1ccc(NC(C)=O)cc1)c1ccc(C)cc1
InChIInChI=1S/C23H29N3O4/c1-4-30-15-5-14-24-23(29)21(18-8-6-16(2)7-9-18)26-22(28)19-10-12-20(13-11-19)25-17(3)27/h6-13,21H,4-5,14-15H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t21-/m1/s1
InChIKeyRCHWAZDMOKFNRY-OAQYLSRUSA-N
MW411.50 g/mol
LogP2.97
Rot. Bonds10

About 4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]benzamide

4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]benzamide (PubChem CID 7288079) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is 4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]benzamide
PubChem CID7288079
Molecular FormulaC23H29N3O4
Molecular Weight411.50 g/mol
Exact Mass411.22
IUPAC Name4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]benzamide
SMILESCCOCCCNC(=O)[C@H](NC(=O)c1ccc(NC(C)=O)cc1)c1ccc(C)cc1
InChIInChI=1S/C23H29N3O4/c1-4-30-15-5-14-24-23(29)21(18-8-6-16(2)7-9-18)26-22(28)19-10-12-20(13-11-19)25-17(3)27/h6-13,21H,4-5,14-15H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t21-/m1/s1
InChIKeyRCHWAZDMOKFNRY-OAQYLSRUSA-N
XLogP2.97
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 ≤ 52.97
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

4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 7288100
4-acetamido-N-[2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(thiophen-2-ylmethyl)benzamide
CID 3605112
(2R)-2-[(2-acetamidoacetyl)amino]-2-(4-chlorophenyl)-N-(3-ethoxypropyl)acetamide
CID 7099535
4-acetamido-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029617
N-[4-(3-ethoxypropylamino)phenyl]acetamide
CID 65176145
N-(3-butoxypropyl)-4-(2-ethylbutanoylamino)benzamide
CID 17309234
4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 55334963
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
ethyl N-[4-[[(1R)-1-(4-methylphenyl)propyl]carbamoyl]phenyl]carbamate
CID 9155973
ethyl 4-(3-ethoxypropylcarbamothioylamino)benzoate
CID 4668305
N-[4-[2-[[N-(3-ethoxypropyl)-N'-methylcarbamimidoyl]amino]ethyl]phenyl]acetamide;hydroiodide
CID 111221838
N-(2-methoxyethyl)-4-[2-(4-methylphenoxy)propanoylamino]benzamide
CID 17218246

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]benzamide?
The IUPAC name of 4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]benzamide (CID 7288079) is 4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]benzamide?
The canonical SMILES for 4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]benzamide is CCOCCCNC(=O)[C@H](NC(=O)c1ccc(NC(C)=O)cc1)c1ccc(C)cc1.
What is the InChIKey of 4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]benzamide?
The InChIKey is RCHWAZDMOKFNRY-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-4-30-15-5-14-24-23(29)21(18-8-6-16(2)7-9-18)26-22(28)19-10-12-20(13-11-19)25-17(3)27/h6-13,21H,4-5,14-15H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t21-/m1/s1.
What are the key properties of 4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]benzamide?
4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]benzamide has a molecular weight of 411.50 g/mol, XLogP of 2.97, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methylphenyl)-2-oxoethyl]benzamide is sourced from PubChem (CID 7288079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).