1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea

Name: 1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₈H₂₃N₃O₂ — CID 48798165

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea

SMILESCN(C)Cc1cccc(NC(=O)NCCc2ccc(O)cc2)c1

InChIInChI=1S/C18H23N3O2/c1-21(2)13-15-4-3-5-16(12-15)20-18(23)19-11-10-14-6-8-17(22)9-7-14/h3-9,12,22H,10-11,13H2,1-2H3,(H2,19,20,23)

InChIKeyCZIVNIUZFPIKFU-UHFFFAOYSA-N

MW313.40 g/mol

LogP2.82

Rot. Bonds6

About 1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea

1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea (PubChem CID 48798165) has the molecular formula C₁₈H₂₃N₃O₂ and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea.

Molecular Properties

Compound Name	1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea
PubChem CID	48798165
Molecular Formula	C₁₈H₂₃N₃O₂
Molecular Weight	313.40 g/mol
Exact Mass	313.18
IUPAC Name	1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea
SMILES	CN(C)Cc1cccc(NC(=O)NCCc2ccc(O)cc2)c1
InChI	InChI=1S/C18H23N3O2/c1-21(2)13-15-4-3-5-16(12-15)20-18(23)19-11-10-14-6-8-17(22)9-7-14/h3-9,12,22H,10-11,13H2,1-2H3,(H2,19,20,23)
InChIKey	CZIVNIUZFPIKFU-UHFFFAOYSA-N
XLogP	2.82
TPSA	64.60 Å²
H-Bond Donors	3
H-Bond Acceptors	3
Rotatable Bonds	6
Heavy Atoms	23
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.40
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea?

The IUPAC name of 1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea (CID 48798165) is 1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea.

What is the SMILES notation for 1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea?

The canonical SMILES for 1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea is CN(C)Cc1cccc(NC(=O)NCCc2ccc(O)cc2)c1.

What is the InChIKey of 1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea?

The InChIKey is CZIVNIUZFPIKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-21(2)13-15-4-3-5-16(12-15)20-18(23)19-11-10-14-6-8-17(22)9-7-14/h3-9,12,22H,10-11,13H2,1-2H3,(H2,19,20,23).

What are the key properties of 1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea?

1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea has a molecular weight of 313.40 g/mol, XLogP of 2.82, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(dimethylamino)methyl]phenyl]-3-[2-(4-hydroxyphenyl)ethyl]urea is sourced from PubChem (CID 48798165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 48798165 — identifiers, structure, computed properties (public domain)

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