N-[(4-methoxyphenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenoxybutanamide

C24H32N2O4 — CID 100527476

IUPACN-[(4-methoxyphenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenoxybutanamide
SMILESCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccccc1
InChIInChI=1S/C24H32N2O4/c1-4-16-25-24(28)19(2)26(18-20-12-14-21(29-3)15-13-20)23(27)11-8-17-30-22-9-6-5-7-10-22/h5-7,9-10,12-15,19H,4,8,11,16-18H2,1-3H3,(H,25,28)/t19-/m1/s1
InChIKeyJAWVJADSTOBEMY-LJQANCHMSA-N
MW412.53 g/mol
LogP3.80
Rot. Bonds12

About N-[(4-methoxyphenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenoxybutanamide

N-[(4-methoxyphenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenoxybutanamide (PubChem CID 100527476) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenoxybutanamide
PubChem CID100527476
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenoxybutanamide
SMILESCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccccc1
InChIInChI=1S/C24H32N2O4/c1-4-16-25-24(28)19(2)26(18-20-12-14-21(29-3)15-13-20)23(27)11-8-17-30-22-9-6-5-7-10-22/h5-7,9-10,12-15,19H,4,8,11,16-18H2,1-3H3,(H,25,28)/t19-/m1/s1
InChIKeyJAWVJADSTOBEMY-LJQANCHMSA-N
XLogP3.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-methoxyphenoxy)-N-[1-oxo-1-(propylamino)propan-2-yl]-N-(2-phenylethyl)butanamide
CID 132667972
N-benzyl-4-(4-methoxyphenoxy)-N-[1-(methylamino)-1-oxopropan-2-yl]butanamide
CID 132657894
N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenoxy)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 100507842
N-[(3,4-dichlorophenyl)methyl]-4-(4-methoxyphenoxy)-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 100507834
N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]butanamide
CID 100529470
N-benzyl-4-(4-methoxyphenoxy)-N-[1-oxo-3-phenyl-1-(propylamino)propan-2-yl]butanamide
CID 132617832
N-[(4-bromophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 132616328
N-[(2S)-1-[[(2R)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(4-methoxyphenoxy)-N-[(4-methoxyphenyl)methyl]butanamide
CID 100618177
N-[(3-chlorophenyl)methyl]-N-[1-oxo-1-(propylamino)propan-2-yl]-4-phenoxybutanamide
CID 132947564
N-benzyl-N-[(2R)-1-(butylamino)-1-oxo-3-phenylpropan-2-yl]-4-(4-methoxyphenoxy)butanamide
CID 100583526
2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]-N-pentylpropanamide
CID 133213644
(2S)-2-[benzyl(4-phenoxybutanoyl)amino]-N-propylbutanamide
CID 100540964

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenoxybutanamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenoxybutanamide (CID 100527476) is N-[(4-methoxyphenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenoxybutanamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenoxybutanamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenoxybutanamide is CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCOc1ccccc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenoxybutanamide?
The InChIKey is JAWVJADSTOBEMY-LJQANCHMSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-4-16-25-24(28)19(2)26(18-20-12-14-21(29-3)15-13-20)23(27)11-8-17-30-22-9-6-5-7-10-22/h5-7,9-10,12-15,19H,4,8,11,16-18H2,1-3H3,(H,25,28)/t19-/m1/s1.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenoxybutanamide?
N-[(4-methoxyphenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenoxybutanamide has a molecular weight of 412.53 g/mol, XLogP of 3.80, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-4-phenoxybutanamide is sourced from PubChem (CID 100527476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).