1-(2,3-dimethoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea

C19H21N5O3 — CID 121176493

IUPAC1-(2,3-dimethoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea
SMILESCOc1cccc(NC(=O)NC(Cn2nccn2)c2ccccc2)c1OC
InChIInChI=1S/C19H21N5O3/c1-26-17-10-6-9-15(18(17)27-2)22-19(25)23-16(13-24-20-11-12-21-24)14-7-4-3-5-8-14/h3-12,16H,13H2,1-2H3,(H2,22,23,25)
InChIKeyIDDQVNHOKZLQBS-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.86
Rot. Bonds7

About 1-(2,3-dimethoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea

1-(2,3-dimethoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea (PubChem CID 121176493) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea
PubChem CID121176493
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name1-(2,3-dimethoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea
SMILESCOc1cccc(NC(=O)NC(Cn2nccn2)c2ccccc2)c1OC
InChIInChI=1S/C19H21N5O3/c1-26-17-10-6-9-15(18(17)27-2)22-19(25)23-16(13-24-20-11-12-21-24)14-7-4-3-5-8-14/h3-12,16H,13H2,1-2H3,(H2,22,23,25)
InChIKeyIDDQVNHOKZLQBS-UHFFFAOYSA-N
XLogP2.86
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea
CID 121176489
N-[1-phenyl-2-(triazol-2-yl)ethyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 121176307
1-(2-amino-1-phenylethyl)-3-(2-methoxyphenyl)urea
CID 63767864
5-chloro-2-methoxy-N-[1-phenyl-2-(triazol-2-yl)ethyl]benzamide
CID 121176252
1-(2-methoxyphenyl)-3-[1-(4-methoxyphenyl)propyl]urea
CID 78798433
1-(3-butoxy-2-methoxyphenyl)-3-[(1S)-1-phenylethyl]urea
CID 174685304
2-(6-oxopyridazin-1-yl)-N-[(1S)-1-phenyl-2-(triazol-2-yl)ethyl]acetamide
CID 124761044
N-[1-phenyl-2-(triazol-2-yl)ethyl]pentanamide
CID 121176209
1-(2-methoxyphenyl)-3-propan-2-ylurea
CID 19167870
1-(2-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]urea
CID 100747414
1-(2-methoxyphenyl)-3-[1-(4-methylphenyl)propyl]urea
CID 133204326
2-[(2-methoxyphenyl)carbamoylamino]-3-phenyl-N-(1-phenylethyl)propanamide
CID 42701995

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea (CID 121176493) is 1-(2,3-dimethoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea is COc1cccc(NC(=O)NC(Cn2nccn2)c2ccccc2)c1OC.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea?
The InChIKey is IDDQVNHOKZLQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-26-17-10-6-9-15(18(17)27-2)22-19(25)23-16(13-24-20-11-12-21-24)14-7-4-3-5-8-14/h3-12,16H,13H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-(2,3-dimethoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea?
1-(2,3-dimethoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea has a molecular weight of 367.41 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-3-[1-phenyl-2-(triazol-2-yl)ethyl]urea is sourced from PubChem (CID 121176493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).