N-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide

C20H21N3O4 — CID 90577447

IUPACN-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide
SMILESCOc1cccc(NC(=O)NCC#CCOc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C20H21N3O4/c1-15(24)22-16-7-6-10-19(14-16)27-12-4-3-11-21-20(25)23-17-8-5-9-18(13-17)26-2/h5-10,13-14H,11-12H2,1-2H3,(H,22,24)(H2,21,23,25)
InChIKeyXAUISDPZJUALTK-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.86
Rot. Bonds6

About N-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide

N-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide (PubChem CID 90577447) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide
PubChem CID90577447
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide
SMILESCOc1cccc(NC(=O)NCC#CCOc2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C20H21N3O4/c1-15(24)22-16-7-6-10-19(14-16)27-12-4-3-11-21-20(25)23-17-8-5-9-18(13-17)26-2/h5-10,13-14H,11-12H2,1-2H3,(H,22,24)(H2,21,23,25)
InChIKeyXAUISDPZJUALTK-UHFFFAOYSA-N
XLogP2.86
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide 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-[3-[4-[2-(4-methoxyphenyl)ethylcarbamoylamino]but-2-ynoxy]phenyl]acetamide
CID 90577466
2-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]benzamide
CID 90580585
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
N-[2-[(3-methoxyphenyl)carbamoylamino]ethyl]acetamide
CID 47140507
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
N-[4-(3-acetamidophenoxy)but-2-ynyl]-5-chloro-2-methoxybenzamide
CID 90577284
N-[4-(3-acetamidophenoxy)but-2-ynyl]-3,3-diphenylpropanamide
CID 90577336
N-[4-(3-acetamidophenoxy)but-2-ynyl]-2-(3-methylphenyl)acetamide
CID 90577329
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
ethyl 4-[4-(3-acetamidophenoxy)but-2-ynylamino]-4-oxobutanoate
CID 90577240
1-[3-(3-chlorophenyl)prop-2-ynyl]-3-(3-methoxyphenyl)urea
CID 90552806
N-[4-(3-acetamidophenoxy)but-2-ynyl]-3,4-diethoxybenzamide
CID 90577265

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide?
The IUPAC name of N-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide (CID 90577447) is N-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide is COc1cccc(NC(=O)NCC#CCOc2cccc(NC(C)=O)c2)c1.
What is the InChIKey of N-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide?
The InChIKey is XAUISDPZJUALTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-15(24)22-16-7-6-10-19(14-16)27-12-4-3-11-21-20(25)23-17-8-5-9-18(13-17)26-2/h5-10,13-14H,11-12H2,1-2H3,(H,22,24)(H2,21,23,25).
What are the key properties of N-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide?
N-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide has a molecular weight of 367.41 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-[(3-methoxyphenyl)carbamoylamino]but-2-ynoxy]phenyl]acetamide is sourced from PubChem (CID 90577447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).