1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3-methylphenyl)urea

C19H21N3O — CID 90554402

IUPAC1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCC#Cc2ccccc2N(C)C)c1
InChIInChI=1S/C19H21N3O/c1-15-8-6-11-17(14-15)21-19(23)20-13-7-10-16-9-4-5-12-18(16)22(2)3/h4-6,8-9,11-12,14H,13H2,1-3H3,(H2,20,21,23)
InChIKeyHWKMZCFJBGWNQW-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.23
Rot. Bonds3

About 1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3-methylphenyl)urea

1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3-methylphenyl)urea (PubChem CID 90554402) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3-methylphenyl)urea
PubChem CID90554402
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCC#Cc2ccccc2N(C)C)c1
InChIInChI=1S/C19H21N3O/c1-15-8-6-11-17(14-15)21-19(23)20-13-7-10-16-9-4-5-12-18(16)22(2)3/h4-6,8-9,11-12,14H,13H2,1-3H3,(H2,20,21,23)
InChIKeyHWKMZCFJBGWNQW-UHFFFAOYSA-N
XLogP3.23
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3-methylphenyl)urea 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

1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3,4-dimethylphenyl)urea
CID 90554417
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2,2-dimethylpropanamide
CID 90552074
1-(3-methylphenyl)-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]urea
CID 90553743
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]pentanamide
CID 90552073
N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 90552032
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
1-[2-(2-bromophenyl)ethyl]-3-(3-methylphenyl)urea
CID 108888015
2-(4-hydroxybut-1-ynyl)-N-(3-methylphenyl)benzamide
CID 60817631
1-(3-methylphenyl)-3-(2-methylprop-2-enyl)urea
CID 114619451
1-(2-amino-2-ethylbutyl)-3-(3-methylphenyl)urea
CID 113283188
1-[3-(3-hydroxyprop-1-ynyl)phenyl]-3-(3-methylphenyl)urea
CID 60804851
(E)-N-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(furan-2-yl)prop-2-enamide
CID 90552022

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3-methylphenyl)urea (CID 90554402) is 1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NCC#Cc2ccccc2N(C)C)c1.
What is the InChIKey of 1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3-methylphenyl)urea?
The InChIKey is HWKMZCFJBGWNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-15-8-6-11-17(14-15)21-19(23)20-13-7-10-16-9-4-5-12-18(16)22(2)3/h4-6,8-9,11-12,14H,13H2,1-3H3,(H2,20,21,23).
What are the key properties of 1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3-methylphenyl)urea?
1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3-methylphenyl)urea has a molecular weight of 307.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(dimethylamino)phenyl]prop-2-ynyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 90554402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).