4-methoxy-3-phenylmethoxy-N-[4-(prop-2-ynylcarbamoyl)phenyl]benzamide

C25H22N2O4 — CID 122188015

IUPAC4-methoxy-3-phenylmethoxy-N-[4-(prop-2-ynylcarbamoyl)phenyl]benzamide
SMILESC#CCNC(=O)c1ccc(NC(=O)c2ccc(OC)c(OCc3ccccc3)c2)cc1
InChIInChI=1S/C25H22N2O4/c1-3-15-26-24(28)19-9-12-21(13-10-19)27-25(29)20-11-14-22(30-2)23(16-20)31-17-18-7-5-4-6-8-18/h1,4-14,16H,15,17H2,2H3,(H,26,28)(H,27,29)
InChIKeyXIRWUJAHRPTQBK-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.89
Rot. Bonds8

About 4-methoxy-3-phenylmethoxy-N-[4-(prop-2-ynylcarbamoyl)phenyl]benzamide

4-methoxy-3-phenylmethoxy-N-[4-(prop-2-ynylcarbamoyl)phenyl]benzamide (PubChem CID 122188015) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is 4-methoxy-3-phenylmethoxy-N-[4-(prop-2-ynylcarbamoyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-phenylmethoxy-N-[4-(prop-2-ynylcarbamoyl)phenyl]benzamide
PubChem CID122188015
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name4-methoxy-3-phenylmethoxy-N-[4-(prop-2-ynylcarbamoyl)phenyl]benzamide
SMILESC#CCNC(=O)c1ccc(NC(=O)c2ccc(OC)c(OCc3ccccc3)c2)cc1
InChIInChI=1S/C25H22N2O4/c1-3-15-26-24(28)19-9-12-21(13-10-19)27-25(29)20-11-14-22(30-2)23(16-20)31-17-18-7-5-4-6-8-18/h1,4-14,16H,15,17H2,2H3,(H,26,28)(H,27,29)
InChIKeyXIRWUJAHRPTQBK-UHFFFAOYSA-N
XLogP3.89
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-3-phenylmethoxy-N-[4-(prop-2-ynylcarbamoyl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
N-(4-benzoylphenyl)-3-methoxy-4-phenylmethoxybenzamide
CID 139779423
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
3-ethoxy-4-methoxy-N-prop-2-ynylbenzamide
CID 18109976
3-ethoxy-N-(4-methylphenyl)-4-phenylmethoxybenzamide
CID 126086097
4-(phenoxymethyl)-N-prop-2-ynylbenzamide
CID 39737071
(4-methoxy-3-phenylmethoxyphenyl)carbamic acid
CID 155170089
N-[4-(2-ethenylphenyl)phenyl]-3-methoxy-4-phenylmethoxybenzamide
CID 139779469
4-acetamido-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 43068273
N-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide
CID 126186357
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
(2R)-2-hydroxy-4-[(4-methoxy-3-phenylmethoxybenzoyl)amino]butanoic acid
CID 13341006

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-phenylmethoxy-N-[4-(prop-2-ynylcarbamoyl)phenyl]benzamide?
The IUPAC name of 4-methoxy-3-phenylmethoxy-N-[4-(prop-2-ynylcarbamoyl)phenyl]benzamide (CID 122188015) is 4-methoxy-3-phenylmethoxy-N-[4-(prop-2-ynylcarbamoyl)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-3-phenylmethoxy-N-[4-(prop-2-ynylcarbamoyl)phenyl]benzamide?
The canonical SMILES for 4-methoxy-3-phenylmethoxy-N-[4-(prop-2-ynylcarbamoyl)phenyl]benzamide is C#CCNC(=O)c1ccc(NC(=O)c2ccc(OC)c(OCc3ccccc3)c2)cc1.
What is the InChIKey of 4-methoxy-3-phenylmethoxy-N-[4-(prop-2-ynylcarbamoyl)phenyl]benzamide?
The InChIKey is XIRWUJAHRPTQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-3-15-26-24(28)19-9-12-21(13-10-19)27-25(29)20-11-14-22(30-2)23(16-20)31-17-18-7-5-4-6-8-18/h1,4-14,16H,15,17H2,2H3,(H,26,28)(H,27,29).
What are the key properties of 4-methoxy-3-phenylmethoxy-N-[4-(prop-2-ynylcarbamoyl)phenyl]benzamide?
4-methoxy-3-phenylmethoxy-N-[4-(prop-2-ynylcarbamoyl)phenyl]benzamide has a molecular weight of 414.46 g/mol, XLogP of 3.89, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-phenylmethoxy-N-[4-(prop-2-ynylcarbamoyl)phenyl]benzamide is sourced from PubChem (CID 122188015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).