N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)-N-[(3-methylphenyl)methyl]butanamide

C24H32N2O3 — CID 132660505

IUPACN-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
SMILESCCNC(=O)C(C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1
InChIInChI=1S/C24H32N2O3/c1-5-25-24(28)20(4)26(17-21-9-6-8-19(3)16-21)23(27)10-7-15-29-22-13-11-18(2)12-14-22/h6,8-9,11-14,16,20H,5,7,10,15,17H2,1-4H3,(H,25,28)
InChIKeyVKQTXXQFZLTXQU-UHFFFAOYSA-N
MW396.53 g/mol
LogP4.02
Rot. Bonds10

About N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)-N-[(3-methylphenyl)methyl]butanamide

N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)-N-[(3-methylphenyl)methyl]butanamide (PubChem CID 132660505) has the molecular formula C24H32N2O3 and a molecular weight of 396.53 g/mol. Its IUPAC name is N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)-N-[(3-methylphenyl)methyl]butanamide.

Molecular Properties

Compound NameN-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
PubChem CID132660505
Molecular FormulaC24H32N2O3
Molecular Weight396.53 g/mol
Exact Mass396.24
IUPAC NameN-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
SMILESCCNC(=O)C(C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1
InChIInChI=1S/C24H32N2O3/c1-5-25-24(28)20(4)26(17-21-9-6-8-19(3)16-21)23(27)10-7-15-29-22-13-11-18(2)12-14-22/h6,8-9,11-14,16,20H,5,7,10,15,17H2,1-4H3,(H,25,28)
InChIKeyVKQTXXQFZLTXQU-UHFFFAOYSA-N
XLogP4.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-chlorophenyl)methyl]-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)butanamide
CID 132947565
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-N-[(3-methylphenyl)methyl]-4-phenoxybutanamide
CID 132707068
4-(4-methylphenoxy)-N-[(4-methylphenyl)methyl]-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide
CID 132709884
N-[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]-4-(4-chlorophenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 100537630
(2R)-N-[(2S)-butan-2-yl]-2-[4-(4-methylphenoxy)butanoyl-[(3-methylphenyl)methyl]amino]butanamide
CID 100672825
4-(4-chlorophenoxy)-N-[1-(ethylamino)-1-oxo-3-phenylpropan-2-yl]-N-[(3-methylphenyl)methyl]butanamide
CID 132618382
N-tert-butyl-2-[4-(4-methylphenoxy)butanoyl-[(3-methylphenyl)methyl]amino]butanamide
CID 132713727
N-[1-(butylamino)-1-oxopropan-2-yl]-4-(4-chlorophenoxy)-N-[(3-chlorophenyl)methyl]butanamide
CID 133257908
N-butyl-2-[4-(4-chlorophenoxy)butanoyl-[(3-methylphenyl)methyl]amino]butanamide
CID 132719336
N-[1-(butylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
CID 132709943
N-benzyl-N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)butanamide
CID 132707073
N-[(4-bromophenyl)methyl]-4-(4-methylphenoxy)-N-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide
CID 100734684

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)-N-[(3-methylphenyl)methyl]butanamide?
The IUPAC name of N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)-N-[(3-methylphenyl)methyl]butanamide (CID 132660505) is N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)-N-[(3-methylphenyl)methyl]butanamide.
What is the SMILES notation for N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)-N-[(3-methylphenyl)methyl]butanamide?
The canonical SMILES for N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)-N-[(3-methylphenyl)methyl]butanamide is CCNC(=O)C(C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1.
What is the InChIKey of N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)-N-[(3-methylphenyl)methyl]butanamide?
The InChIKey is VKQTXXQFZLTXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O3/c1-5-25-24(28)20(4)26(17-21-9-6-8-19(3)16-21)23(27)10-7-15-29-22-13-11-18(2)12-14-22/h6,8-9,11-14,16,20H,5,7,10,15,17H2,1-4H3,(H,25,28).
What are the key properties of N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)-N-[(3-methylphenyl)methyl]butanamide?
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)-N-[(3-methylphenyl)methyl]butanamide has a molecular weight of 396.53 g/mol, XLogP of 4.02, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(4-methylphenoxy)-N-[(3-methylphenyl)methyl]butanamide is sourced from PubChem (CID 132660505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).