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

C23H29N3O5 — CID 7288100

IUPAC4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide
SMILESCCOCCCNC(=O)[C@H](NC(=O)c1ccc(NC(C)=O)cc1)c1ccc(OC)cc1
InChIInChI=1S/C23H29N3O5/c1-4-31-15-5-14-24-23(29)21(17-8-12-20(30-3)13-9-17)26-22(28)18-6-10-19(11-7-18)25-16(2)27/h6-13,21H,4-5,14-15H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t21-/m1/s1
InChIKeyWBBIZZIQWORWJY-OAQYLSRUSA-N
MW427.50 g/mol
LogP2.67
Rot. Bonds11

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

4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide (PubChem CID 7288100) has the molecular formula C23H29N3O5 and a molecular weight of 427.50 g/mol. Its IUPAC name is 4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide
PubChem CID7288100
Molecular FormulaC23H29N3O5
Molecular Weight427.50 g/mol
Exact Mass427.21
IUPAC Name4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide
SMILESCCOCCCNC(=O)[C@H](NC(=O)c1ccc(NC(C)=O)cc1)c1ccc(OC)cc1
InChIInChI=1S/C23H29N3O5/c1-4-31-15-5-14-24-23(29)21(17-8-12-20(30-3)13-9-17)26-22(28)18-6-10-19(11-7-18)25-16(2)27/h6-13,21H,4-5,14-15H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)/t21-/m1/s1
InChIKeyWBBIZZIQWORWJY-OAQYLSRUSA-N
XLogP2.67
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-methylphenyl)-2-oxoethyl]benzamide
CID 7288079
4-[[2-[(4-methoxybenzoyl)amino]-2-phenylacetyl]amino]butanoic acid
CID 119170708
4-acetamido-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029617
4-acetamido-N-[1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 22107827
N-(3-ethoxypropyl)-2-(4-methoxyphenyl)-2-oxoacetamide
CID 101014754
N-(3-methoxypropyl)-4-[2-(4-propan-2-ylphenoxy)propanoylamino]benzamide
CID 17205110
N-[4-(3-ethoxypropylamino)phenyl]acetamide
CID 65176145
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
(2S)-N-(3-ethoxypropyl)-2-(4-methoxyphenyl)sulfanylpropanamide
CID 28632770
1-(3-ethoxypropyl)-3-[(2S)-4-(4-methoxyphenyl)butan-2-yl]urea
CID 95192114
N-[2-[[(E)-but-2-enyl]amino]-2-oxo-1-phenylethyl]-4-methoxybenzamide
CID 167917675
N-[2-[[N-(3-ethoxypropyl)-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]ethyl]-4-methoxybenzamide
CID 110926821

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide?
The IUPAC name of 4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide (CID 7288100) is 4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide?
The canonical SMILES for 4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide is CCOCCCNC(=O)[C@H](NC(=O)c1ccc(NC(C)=O)cc1)c1ccc(OC)cc1.
What is the InChIKey of 4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide?
The InChIKey is WBBIZZIQWORWJY-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29N3O5/c1-4-31-15-5-14-24-23(29)21(17-8-12-20(30-3)13-9-17)26-22(28)18-6-10-19(11-7-18)25-16(2)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-methoxyphenyl)-2-oxoethyl]benzamide?
4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide has a molecular weight of 427.50 g/mol, XLogP of 2.67, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(1R)-2-(3-ethoxypropylamino)-1-(4-methoxyphenyl)-2-oxoethyl]benzamide is sourced from PubChem (CID 7288100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).