N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide

C24H30N2O4 — CID 55509603

IUPACN-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NCc2ccc(NC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C24H30N2O4/c1-4-15-30-21-11-7-19(8-12-21)22(27)13-14-23(28)25-16-18-5-9-20(10-6-18)26-24(29)17(2)3/h5-12,17H,4,13-16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyQUZMEWGQOXZKNH-UHFFFAOYSA-N
MW410.51 g/mol
LogP4.35
Rot. Bonds11

About N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide

N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide (PubChem CID 55509603) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide.

Molecular Properties

Compound NameN-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide
PubChem CID55509603
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC NameN-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide
SMILESCCCOc1ccc(C(=O)CCC(=O)NCc2ccc(NC(=O)C(C)C)cc2)cc1
InChIInChI=1S/C24H30N2O4/c1-4-15-30-21-11-7-19(8-12-21)22(27)13-14-23(28)25-16-18-5-9-20(10-6-18)26-24(29)17(2)3/h5-12,17H,4,13-16H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyQUZMEWGQOXZKNH-UHFFFAOYSA-N
XLogP4.35
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 7779404
N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 60516641
4-(4-methylphenyl)-4-oxo-N-(4-propoxyphenyl)butanamide
CID 110493382
2-methyl-N-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]propanamide
CID 26907045
4-oxo-4-(4-propoxyphenyl)-N-(pyridin-3-ylmethyl)butanamide
CID 29175980
N-[4-(3-amino-3-oxopropoxy)phenyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 55727969
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 31424462
[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl] 4-oxo-4-(4-propoxyphenyl)butanoate
CID 7189737
N-[4-[2-oxo-2-[(4-propoxyphenyl)methylamino]ethyl]phenyl]prop-2-enamide
CID 166421133
N-butan-2-yl-4-oxo-4-(4-propoxyphenyl)butanamide
CID 78773838
5-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pentanamide
CID 107907654
1,2-bis(4-propoxyphenyl)ethanone
CID 58229205

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The IUPAC name of N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide (CID 55509603) is N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide.
What is the SMILES notation for N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The canonical SMILES for N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide is CCCOc1ccc(C(=O)CCC(=O)NCc2ccc(NC(=O)C(C)C)cc2)cc1.
What is the InChIKey of N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
The InChIKey is QUZMEWGQOXZKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-4-15-30-21-11-7-19(8-12-21)22(27)13-14-23(28)25-16-18-5-9-20(10-6-18)26-24(29)17(2)3/h5-12,17H,4,13-16H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide?
N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide has a molecular weight of 410.51 g/mol, XLogP of 4.35, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methylpropanoylamino)phenyl]methyl]-4-oxo-4-(4-propoxyphenyl)butanamide is sourced from PubChem (CID 55509603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).