(2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide

C23H31N3O2 — CID 8992097

IUPAC(2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide
SMILESCCc1ccc([C@H](N[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)C(C)C)cc1
InChIInChI=1S/C23H31N3O2/c1-6-18-7-9-19(10-8-18)22(15(2)3)24-16(4)23(28)26-21-13-11-20(12-14-21)25-17(5)27/h7-16,22,24H,6H2,1-5H3,(H,25,27)(H,26,28)/t16-,22-/m1/s1
InChIKeyHGXKZSBCRVBSMK-OPAMFIHVSA-N
MW381.52 g/mol
LogP4.52
Rot. Bonds8

About (2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide

(2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide (PubChem CID 8992097) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is (2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide
PubChem CID8992097
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name(2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide
SMILESCCc1ccc([C@H](N[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)C(C)C)cc1
InChIInChI=1S/C23H31N3O2/c1-6-18-7-9-19(10-8-18)22(15(2)3)24-16(4)23(28)26-21-13-11-20(12-14-21)25-17(5)27/h7-16,22,24H,6H2,1-5H3,(H,25,27)(H,26,28)/t16-,22-/m1/s1
InChIKeyHGXKZSBCRVBSMK-OPAMFIHVSA-N
XLogP4.52
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(4-acetamidophenyl)-2-[[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]amino]propanamide
CID 8834174
(2R)-N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]propanamide
CID 8923032
(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(4-sulfamoylphenyl)propanamide
CID 8992451
(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide
CID 8992288
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(4-ethylphenyl)propanamide
CID 24537281
N-(4-acetamidophenyl)-2-(4-ethylphenoxy)propanamide
CID 4953258
N-[4-[[(1S)-2-methyl-1-(4-propylphenyl)propyl]sulfamoyl]phenyl]acetamide
CID 26531464
2-(4-acetamidophenyl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 134015095
(2S)-2-[[(S)-cyclopropyl(phenyl)methyl]amino]-N-(4-ethylphenyl)propanamide
CID 25431954
2-[1-(4-ethylphenyl)ethylamino]-N-methylpropanamide
CID 60674323
N-(4-bromophenyl)-2-(4-ethylanilino)propanamide
CID 46799470
2-(2,6-diethylanilino)-N-(4-ethylphenyl)propanamide
CID 13252290

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide?
The IUPAC name of (2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide (CID 8992097) is (2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide.
What is the SMILES notation for (2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide?
The canonical SMILES for (2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide is CCc1ccc([C@H](N[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)C(C)C)cc1.
What is the InChIKey of (2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide?
The InChIKey is HGXKZSBCRVBSMK-OPAMFIHVSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-6-18-7-9-19(10-8-18)22(15(2)3)24-16(4)23(28)26-21-13-11-20(12-14-21)25-17(5)27/h7-16,22,24H,6H2,1-5H3,(H,25,27)(H,26,28)/t16-,22-/m1/s1.
What are the key properties of (2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide?
(2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide has a molecular weight of 381.52 g/mol, XLogP of 4.52, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetamidophenyl)-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]propanamide is sourced from PubChem (CID 8992097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).