1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea

C22H25N3O2 — CID 17470191

IUPAC1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea
SMILESCOc1ccccc1C(CNC(=O)Nc1cccc2ccccc12)N(C)C
InChIInChI=1S/C22H25N3O2/c1-25(2)20(18-12-6-7-14-21(18)27-3)15-23-22(26)24-19-13-8-10-16-9-4-5-11-17(16)19/h4-14,20H,15H2,1-3H3,(H2,23,24,26)
InChIKeyBJUIVUXDBSAKBC-UHFFFAOYSA-N
MW363.46 g/mol
LogP4.27
Rot. Bonds6

About 1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea

1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea (PubChem CID 17470191) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea
PubChem CID17470191
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea
SMILESCOc1ccccc1C(CNC(=O)Nc1cccc2ccccc12)N(C)C
InChIInChI=1S/C22H25N3O2/c1-25(2)20(18-12-6-7-14-21(18)27-3)15-23-22(26)24-19-13-8-10-16-9-4-5-11-17(16)19/h4-14,20H,15H2,1-3H3,(H2,23,24,26)
InChIKeyBJUIVUXDBSAKBC-UHFFFAOYSA-N
XLogP4.27
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-(2-fluorophenyl)urea
CID 41036483
1-benzyl-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
CID 24664488
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(2-methoxyphenyl)urea
CID 51168501
1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
CID 24528854
1-[2-(dimethylamino)-3-phenylpropyl]-3-naphthalen-1-ylurea
CID 18153434
1-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[2-(tetrazol-1-yl)phenyl]urea
CID 52511803
1-(2,3-dimethoxyphenyl)-3-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]urea
CID 30521007
N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 31308885
1-(2-hydroxypropyl)-3-naphthalen-1-ylurea
CID 17468556
1-[2-[(dimethylamino)methyl]-3-hydroxy-3-phenylpropyl]-3-naphthalen-1-ylurea
CID 42959034
N'-(2,5-dimethoxyphenyl)-N-[(2R)-2-(dimethylamino)-2-naphthalen-1-ylethyl]oxamide
CID 41454488
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-methoxybenzamide;hydrochloride
CID 52985226

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea (CID 17470191) is 1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea is COc1ccccc1C(CNC(=O)Nc1cccc2ccccc12)N(C)C.
What is the InChIKey of 1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea?
The InChIKey is BJUIVUXDBSAKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-25(2)20(18-12-6-7-14-21(18)27-3)15-23-22(26)24-19-13-8-10-16-9-4-5-11-17(16)19/h4-14,20H,15H2,1-3H3,(H2,23,24,26).
What are the key properties of 1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea?
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea has a molecular weight of 363.46 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 17470191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).