N-[2-methyl-4-(propanoylamino)phenyl]-4-phenoxybutanamide

C20H24N2O3 — CID 131947688

IUPACN-[2-methyl-4-(propanoylamino)phenyl]-4-phenoxybutanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CCCOc2ccccc2)c(C)c1
InChIInChI=1S/C20H24N2O3/c1-3-19(23)21-16-11-12-18(15(2)14-16)22-20(24)10-7-13-25-17-8-5-4-6-9-17/h4-6,8-9,11-12,14H,3,7,10,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyNDEHTQZZYLKDMD-UHFFFAOYSA-N
MW340.42 g/mol
LogP4.14
Rot. Bonds8

About N-[2-methyl-4-(propanoylamino)phenyl]-4-phenoxybutanamide

N-[2-methyl-4-(propanoylamino)phenyl]-4-phenoxybutanamide (PubChem CID 131947688) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[2-methyl-4-(propanoylamino)phenyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-methyl-4-(propanoylamino)phenyl]-4-phenoxybutanamide
PubChem CID131947688
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[2-methyl-4-(propanoylamino)phenyl]-4-phenoxybutanamide
SMILESCCC(=O)Nc1ccc(NC(=O)CCCOc2ccccc2)c(C)c1
InChIInChI=1S/C20H24N2O3/c1-3-19(23)21-16-11-12-18(15(2)14-16)22-20(24)10-7-13-25-17-8-5-4-6-9-17/h4-6,8-9,11-12,14H,3,7,10,13H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyNDEHTQZZYLKDMD-UHFFFAOYSA-N
XLogP4.14
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-methyl-4-(3-phenoxypropanoylamino)phenyl]propanamide
CID 82034579
N-(2-methyl-4-pyridinyl)-4-phenoxybutanamide
CID 110757265
4-(4-ethoxyphenoxy)-N-(2-methylphenyl)butanamide
CID 7946732
N-(2-methylphenyl)-3-phenoxypropanamide
CID 725619
methyl 4-methyl-3-(4-phenoxybutanoylamino)benzoate
CID 2673216
N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54835679
N-[4-(4-aminobutanoylamino)-2-methylphenyl]pentanamide
CID 39193527
4-phenoxy-N-(4-propan-2-ylphenyl)butanamide
CID 21367289
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
2-[4-[4-(3-acetylphenoxy)butanoylamino]-3-methylphenoxy]acetic acid
CID 119231587
N-(4-benzamido-3-methylphenyl)-4-propoxybenzamide
CID 2288044
N-(2-methyl-1,3-benzothiazol-6-yl)-4-phenoxybutanamide
CID 4800116

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(propanoylamino)phenyl]-4-phenoxybutanamide?
The IUPAC name of N-[2-methyl-4-(propanoylamino)phenyl]-4-phenoxybutanamide (CID 131947688) is N-[2-methyl-4-(propanoylamino)phenyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[2-methyl-4-(propanoylamino)phenyl]-4-phenoxybutanamide?
The canonical SMILES for N-[2-methyl-4-(propanoylamino)phenyl]-4-phenoxybutanamide is CCC(=O)Nc1ccc(NC(=O)CCCOc2ccccc2)c(C)c1.
What is the InChIKey of N-[2-methyl-4-(propanoylamino)phenyl]-4-phenoxybutanamide?
The InChIKey is NDEHTQZZYLKDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-19(23)21-16-11-12-18(15(2)14-16)22-20(24)10-7-13-25-17-8-5-4-6-9-17/h4-6,8-9,11-12,14H,3,7,10,13H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[2-methyl-4-(propanoylamino)phenyl]-4-phenoxybutanamide?
N-[2-methyl-4-(propanoylamino)phenyl]-4-phenoxybutanamide has a molecular weight of 340.42 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(propanoylamino)phenyl]-4-phenoxybutanamide is sourced from PubChem (CID 131947688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).