2-[3-[(4-methoxyphenyl)carbamoylamino]prop-1-ynyl]-N-methylbenzamide

C19H19N3O3 — CID 90553632

IUPAC2-[3-[(4-methoxyphenyl)carbamoylamino]prop-1-ynyl]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1C#CCNC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C19H19N3O3/c1-20-18(23)17-8-4-3-6-14(17)7-5-13-21-19(24)22-15-9-11-16(25-2)12-10-15/h3-4,6,8-12H,13H2,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyNWBRPZUESPLLDZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.23
Rot. Bonds4

About 2-[3-[(4-methoxyphenyl)carbamoylamino]prop-1-ynyl]-N-methylbenzamide

2-[3-[(4-methoxyphenyl)carbamoylamino]prop-1-ynyl]-N-methylbenzamide (PubChem CID 90553632) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[3-[(4-methoxyphenyl)carbamoylamino]prop-1-ynyl]-N-methylbenzamide.

Molecular Properties

Compound Name2-[3-[(4-methoxyphenyl)carbamoylamino]prop-1-ynyl]-N-methylbenzamide
PubChem CID90553632
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-[3-[(4-methoxyphenyl)carbamoylamino]prop-1-ynyl]-N-methylbenzamide
SMILESCNC(=O)c1ccccc1C#CCNC(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C19H19N3O3/c1-20-18(23)17-8-4-3-6-14(17)7-5-13-21-19(24)22-15-9-11-16(25-2)12-10-15/h3-4,6,8-12H,13H2,1-2H3,(H,20,23)(H2,21,22,24)
InChIKeyNWBRPZUESPLLDZ-UHFFFAOYSA-N
XLogP2.23
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-[3-[[4-(trifluoromethyl)phenyl]carbamoylamino]prop-1-ynyl]benzamide
CID 90553652
3-methoxy-1-methyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]pyrazole-4-carboxamide
CID 90550436
2-(3-aminoprop-1-ynyl)-N-methylbenzamide
CID 60820705
2-[3-[[2-(4-fluorophenyl)acetyl]amino]prop-1-ynyl]-N-methylbenzamide
CID 90550373
4-methyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]thiophene-2-carboxamide
CID 90550468
1-[4-(2-fluorophenoxy)but-2-ynyl]-3-(4-methoxyphenyl)urea
CID 90574611
2-methyl-N-[3-[2-(methylcarbamoyl)phenyl]prop-2-ynyl]-3-nitrobenzamide
CID 90550335
N-[2-[(4-methoxyphenyl)carbamoylamino]ethyl]benzamide
CID 32527019
1-[(2-chlorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 6469547
1,3-bis(4-methoxyphenyl)urea
CID 139045428
N-methyl-2-[3-(propylsulfonylamino)prop-1-ynyl]benzamide
CID 90553669
1-(4-tert-butylphenyl)-3-[3-(2-chlorophenyl)prop-2-ynyl]urea
CID 90552935

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methoxyphenyl)carbamoylamino]prop-1-ynyl]-N-methylbenzamide?
The IUPAC name of 2-[3-[(4-methoxyphenyl)carbamoylamino]prop-1-ynyl]-N-methylbenzamide (CID 90553632) is 2-[3-[(4-methoxyphenyl)carbamoylamino]prop-1-ynyl]-N-methylbenzamide.
What is the SMILES notation for 2-[3-[(4-methoxyphenyl)carbamoylamino]prop-1-ynyl]-N-methylbenzamide?
The canonical SMILES for 2-[3-[(4-methoxyphenyl)carbamoylamino]prop-1-ynyl]-N-methylbenzamide is CNC(=O)c1ccccc1C#CCNC(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 2-[3-[(4-methoxyphenyl)carbamoylamino]prop-1-ynyl]-N-methylbenzamide?
The InChIKey is NWBRPZUESPLLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-20-18(23)17-8-4-3-6-14(17)7-5-13-21-19(24)22-15-9-11-16(25-2)12-10-15/h3-4,6,8-12H,13H2,1-2H3,(H,20,23)(H2,21,22,24).
What are the key properties of 2-[3-[(4-methoxyphenyl)carbamoylamino]prop-1-ynyl]-N-methylbenzamide?
2-[3-[(4-methoxyphenyl)carbamoylamino]prop-1-ynyl]-N-methylbenzamide has a molecular weight of 337.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methoxyphenyl)carbamoylamino]prop-1-ynyl]-N-methylbenzamide is sourced from PubChem (CID 90553632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).