methane;3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-methylpropanamide

C15H21NO3 — CID 143079492

IUPACmethane;3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-methylpropanamide
SMILESC.C#CCOc1ccc(CCC(=O)NC)cc1OC
InChIInChI=1S/C14H17NO3.CH4/c1-4-9-18-12-7-5-11(10-13(12)17-3)6-8-14(16)15-2;/h1,5,7,10H,6,8-9H2,2-3H3,(H,15,16);1H4
InChIKeyQCNWCVDYBCXNLD-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.02
Rot. Bonds6

About methane;3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-methylpropanamide

methane;3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-methylpropanamide (PubChem CID 143079492) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methane;3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Namemethane;3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-methylpropanamide
PubChem CID143079492
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethane;3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-methylpropanamide
SMILESC.C#CCOc1ccc(CCC(=O)NC)cc1OC
InChIInChI=1S/C14H17NO3.CH4/c1-4-9-18-12-7-5-11(10-13(12)17-3)6-8-14(16)15-2;/h1,5,7,10H,6,8-9H2,2-3H3,(H,15,16);1H4
InChIKeyQCNWCVDYBCXNLD-UHFFFAOYSA-N
XLogP2.02
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methane;3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-methylpropanamide 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

N-[(4-chloro-3-methylphenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)propanamide
CID 58655122
3-[3,4-bis(prop-2-ynoxy)phenyl]-N-(1-cyanoethyl)propanamide
CID 58655007
N-(cyanomethyl)-3-(3-ethoxy-4-prop-2-ynoxyphenyl)propanamide
CID 142980584
N-(cyanomethyl)-3-[3-(fluoromethoxy)-4-prop-2-ynoxyphenyl]propanamide
CID 142980593
2-(3,4-dimethoxyphenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-oxoacetamide
CID 18412065
N-[(4-chlorophenyl)methyl]-3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-methylpropanamide
CID 23087643
N-(1-cyanoethyl)-3-[3-(2-fluoroethoxy)-4-prop-2-ynoxyphenyl]propanamide
CID 58655010
ethane;methyl 3-methoxy-4-prop-2-ynoxybenzoate
CID 156726713
3-(4-ethoxy-3-methoxyphenyl)-N-ethylpropanamide
CID 58655084
2-methoxy-4-[(Z)-4-(3-methoxy-4-prop-2-ynoxyphenyl)but-2-enyl]-1-prop-2-ynoxybenzene
CID 155770275
(2R)-4-(4-fluorophenyl)-2-hydroxy-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]butanamide
CID 87258583
2-(4-bromophenyl)-N-[2-(3-methoxy-4-prop-2-ynoxyphenyl)ethyl]-2-oxoacetamide
CID 18412067

Frequently Asked Questions

What is the IUPAC name of methane;3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-methylpropanamide?
The IUPAC name of methane;3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-methylpropanamide (CID 143079492) is methane;3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-methylpropanamide.
What is the SMILES notation for methane;3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-methylpropanamide?
The canonical SMILES for methane;3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-methylpropanamide is C.C#CCOc1ccc(CCC(=O)NC)cc1OC.
What is the InChIKey of methane;3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-methylpropanamide?
The InChIKey is QCNWCVDYBCXNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3.CH4/c1-4-9-18-12-7-5-11(10-13(12)17-3)6-8-14(16)15-2;/h1,5,7,10H,6,8-9H2,2-3H3,(H,15,16);1H4.
What are the key properties of methane;3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-methylpropanamide?
methane;3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-methylpropanamide has a molecular weight of 263.34 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;3-(3-methoxy-4-prop-2-ynoxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 143079492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).