N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide

C17H24N2O4 — CID 110609779

IUPACN-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)NCCCCNC(C)=O)cc1
InChIInChI=1S/C17H24N2O4/c1-13(20)18-11-3-4-12-19-17(22)10-9-16(21)14-5-7-15(23-2)8-6-14/h5-8H,3-4,9-12H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyRLBVPLUCZTZBKK-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.69
Rot. Bonds10

About N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide

N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide (PubChem CID 110609779) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide
PubChem CID110609779
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC NameN-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide
SMILESCOc1ccc(C(=O)CCC(=O)NCCCCNC(C)=O)cc1
InChIInChI=1S/C17H24N2O4/c1-13(20)18-11-3-4-12-19-17(22)10-9-16(21)14-5-7-15(23-2)8-6-14/h5-8H,3-4,9-12H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyRLBVPLUCZTZBKK-UHFFFAOYSA-N
XLogP1.69
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.69
H-Bond Donors ≤ 52
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-chlorophenyl)-N-[4-(4-methoxyphenyl)butyl]-4-oxobutanamide
CID 110307812
N-[2-(ethylamino)ethyl]-4-(4-methoxyphenyl)-4-oxobutanamide;hydrochloride
CID 119506776
4-(4-methoxyphenyl)-4-oxo-N-(2-propan-2-yloxyethyl)butanamide
CID 110418794
N-(4,4-dimethylpentyl)-5-(4-methoxyphenyl)-5-oxopentanamide
CID 110617824
5-(4-methoxyphenyl)-N-[4-(4-methylphenoxy)butyl]-5-oxopentanamide
CID 55972820
N-(3-acetamidopropyl)-5-(4-methoxyphenyl)pentanamide
CID 110309527
4-(4-fluorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]-4-oxobutanamide
CID 8934923
3-acetamido-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 8896928
N-[3-(4-methoxyphenoxy)propyl]acetamide
CID 60578635
N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
4-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]-4-oxobutanamide
CID 20969140
N-[(4-methoxyphenyl)methyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 26695901

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide?
The IUPAC name of N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide (CID 110609779) is N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide?
The canonical SMILES for N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide is COc1ccc(C(=O)CCC(=O)NCCCCNC(C)=O)cc1.
What is the InChIKey of N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide?
The InChIKey is RLBVPLUCZTZBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-13(20)18-11-3-4-12-19-17(22)10-9-16(21)14-5-7-15(23-2)8-6-14/h5-8H,3-4,9-12H2,1-2H3,(H,18,20)(H,19,22).
What are the key properties of N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide?
N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide has a molecular weight of 320.39 g/mol, XLogP of 1.69, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidobutyl)-4-(4-methoxyphenyl)-4-oxobutanamide is sourced from PubChem (CID 110609779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).