N-[4-[3-(2-methoxyethylcarbamoylamino)prop-1-ynyl]phenyl]acetamide

C15H19N3O3 — CID 90554201

IUPACN-[4-[3-(2-methoxyethylcarbamoylamino)prop-1-ynyl]phenyl]acetamide
SMILESCOCCNC(=O)NCC#Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H19N3O3/c1-12(19)18-14-7-5-13(6-8-14)4-3-9-16-15(20)17-10-11-21-2/h5-8H,9-11H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyFGMQWFGBPYWEDO-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.94
Rot. Bonds5

About N-[4-[3-(2-methoxyethylcarbamoylamino)prop-1-ynyl]phenyl]acetamide

N-[4-[3-(2-methoxyethylcarbamoylamino)prop-1-ynyl]phenyl]acetamide (PubChem CID 90554201) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[4-[3-(2-methoxyethylcarbamoylamino)prop-1-ynyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(2-methoxyethylcarbamoylamino)prop-1-ynyl]phenyl]acetamide
PubChem CID90554201
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC NameN-[4-[3-(2-methoxyethylcarbamoylamino)prop-1-ynyl]phenyl]acetamide
SMILESCOCCNC(=O)NCC#Cc1ccc(NC(C)=O)cc1
InChIInChI=1S/C15H19N3O3/c1-12(19)18-14-7-5-13(6-8-14)4-3-9-16-15(20)17-10-11-21-2/h5-8H,9-11H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyFGMQWFGBPYWEDO-UHFFFAOYSA-N
XLogP0.94
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-(tert-butylcarbamoylamino)prop-1-ynyl]phenyl]acetamide
CID 90554161
N-[3-(4-acetamidophenyl)prop-2-ynyl]propanamide
CID 90551520
N-[3-(4-acetamidophenyl)prop-2-ynyl]-2-methoxybenzamide
CID 90551553
N-[4-[3-[(2,4-dimethoxyphenyl)carbamoylamino]prop-1-ynyl]phenyl]acetamide
CID 90554177
N-[3-(4-acetamidophenyl)prop-2-ynyl]-4-methylbenzamide
CID 90551549
4-[3-[(4-acetamidobenzoyl)amino]prop-1-ynyl]benzamide
CID 90549691
1-(2-methoxyethyl)-3-(4-methylsulfanylphenyl)urea
CID 47033133
N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60804040
1-[3-(4-acetylphenyl)prop-2-ynyl]-3-(4-chlorophenyl)urea
CID 90553271
N-[4-[(2-methoxyethylcarbamoylamino)methyl]phenyl]-2-methylpropanamide
CID 38154617
(E)-3-(4-acetamidophenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 51339871
1-[3-(4-acetylphenyl)prop-2-ynyl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 90553295

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(2-methoxyethylcarbamoylamino)prop-1-ynyl]phenyl]acetamide?
The IUPAC name of N-[4-[3-(2-methoxyethylcarbamoylamino)prop-1-ynyl]phenyl]acetamide (CID 90554201) is N-[4-[3-(2-methoxyethylcarbamoylamino)prop-1-ynyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-(2-methoxyethylcarbamoylamino)prop-1-ynyl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-(2-methoxyethylcarbamoylamino)prop-1-ynyl]phenyl]acetamide is COCCNC(=O)NCC#Cc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-[4-[3-(2-methoxyethylcarbamoylamino)prop-1-ynyl]phenyl]acetamide?
The InChIKey is FGMQWFGBPYWEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-12(19)18-14-7-5-13(6-8-14)4-3-9-16-15(20)17-10-11-21-2/h5-8H,9-11H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of N-[4-[3-(2-methoxyethylcarbamoylamino)prop-1-ynyl]phenyl]acetamide?
N-[4-[3-(2-methoxyethylcarbamoylamino)prop-1-ynyl]phenyl]acetamide has a molecular weight of 289.34 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(2-methoxyethylcarbamoylamino)prop-1-ynyl]phenyl]acetamide is sourced from PubChem (CID 90554201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).