N-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide

C28H32N2O5 — CID 19191483

IUPACN-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide
SMILESCCCc1ccc(OCCCC(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1
InChIInChI=1S/C28H32N2O5/c1-4-9-20-13-15-22(16-14-20)35-17-8-12-27(31)29-23-18-26(34-3)24(19-25(23)33-2)30-28(32)21-10-6-5-7-11-21/h5-7,10-11,13-16,18-19H,4,8-9,12,17H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyNVCITOZVWADFCU-UHFFFAOYSA-N
MW476.57 g/mol
LogP5.71
Rot. Bonds12

About N-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide

N-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide (PubChem CID 19191483) has the molecular formula C28H32N2O5 and a molecular weight of 476.57 g/mol. Its IUPAC name is N-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide
PubChem CID19191483
Molecular FormulaC28H32N2O5
Molecular Weight476.57 g/mol
Exact Mass476.23
IUPAC NameN-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide
SMILESCCCc1ccc(OCCCC(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1
InChIInChI=1S/C28H32N2O5/c1-4-9-20-13-15-22(16-14-20)35-17-8-12-27(31)29-23-18-26(34-3)24(19-25(23)33-2)30-28(32)21-10-6-5-7-11-21/h5-7,10-11,13-16,18-19H,4,8-9,12,17H2,1-3H3,(H,29,31)(H,30,32)
InChIKeyNVCITOZVWADFCU-UHFFFAOYSA-N
XLogP5.71
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.57
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2,5-dimethoxy-4-[[2-(4-propylphenoxy)acetyl]amino]phenyl]benzamide
CID 19180504
N-(2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide
CID 19191443
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(4-propylphenoxy)butanamide
CID 19191445
N-[2,5-diethoxy-4-[3-(4-ethylphenoxy)propanoylamino]phenyl]benzamide
CID 108795827
N-[4-[[2-(4-ethoxyphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180542
N-[4-[4-(2,3-dimethylphenoxy)butanoylamino]-2,5-dimethoxyphenyl]benzamide
CID 19191042
N-[2,5-diethoxy-4-[4-[4-(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]benzamide
CID 19237102
N'-(4-benzamido-2,5-dimethoxyphenyl)-N-benzylpentanediamide
CID 3274754
N-[2,5-dimethoxy-4-[3-(3-methylphenoxy)propanoylamino]phenyl]benzamide
CID 2604010
N-[2,5-dimethoxy-4-[3-(3,4,5-trimethoxyphenyl)propanoylamino]phenyl]benzamide
CID 24570959
4-butoxy-N-[3-methoxy-4-(pentanoylamino)phenyl]benzamide
CID 2932391
N-(4-benzamido-2,5-dimethoxyphenyl)benzamide
CID 1053126

Frequently Asked Questions

What is the IUPAC name of N-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide?
The IUPAC name of N-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide (CID 19191483) is N-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide.
What is the SMILES notation for N-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide?
The canonical SMILES for N-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide is CCCc1ccc(OCCCC(=O)Nc2cc(OC)c(NC(=O)c3ccccc3)cc2OC)cc1.
What is the InChIKey of N-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide?
The InChIKey is NVCITOZVWADFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O5/c1-4-9-20-13-15-22(16-14-20)35-17-8-12-27(31)29-23-18-26(34-3)24(19-25(23)33-2)30-28(32)21-10-6-5-7-11-21/h5-7,10-11,13-16,18-19H,4,8-9,12,17H2,1-3H3,(H,29,31)(H,30,32).
What are the key properties of N-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide?
N-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide has a molecular weight of 476.57 g/mol, XLogP of 5.71, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-dimethoxy-4-[4-(4-propylphenoxy)butanoylamino]phenyl]benzamide is sourced from PubChem (CID 19191483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).