1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea

C20H27N3O2 — CID 111111222

IUPAC1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
SMILESCCN(CCNC(=O)NCC(O)c1ccc2ccccc2c1)C1CC1
InChIInChI=1S/C20H27N3O2/c1-2-23(18-9-10-18)12-11-21-20(25)22-14-19(24)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13,18-19,24H,2,9-12,14H2,1H3,(H2,21,22,25)
InChIKeyGXDVYJJAMWWUMZ-UHFFFAOYSA-N
MW341.45 g/mol
LogP2.66
Rot. Bonds8

About 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea

1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea (PubChem CID 111111222) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea.

Molecular Properties

Compound Name1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
PubChem CID111111222
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC Name1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
SMILESCCN(CCNC(=O)NCC(O)c1ccc2ccccc2c1)C1CC1
InChIInChI=1S/C20H27N3O2/c1-2-23(18-9-10-18)12-11-21-20(25)22-14-19(24)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13,18-19,24H,2,9-12,14H2,1H3,(H2,21,22,25)
InChIKeyGXDVYJJAMWWUMZ-UHFFFAOYSA-N
XLogP2.66
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(cyclopropylmethoxy)ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
CID 111111224
N-(2-hydroxy-2-naphthalen-2-ylethyl)-2-methylpropanamide
CID 111112159
1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-(2-methyl-2-pyrrolidin-1-ylpropyl)urea
CID 126435297
1-(2-hydroxy-2-naphthalen-2-ylethyl)-3-[(4-hydroxyphenyl)methyl]urea
CID 111111377
2-(dimethylamino)-N-(2-hydroxy-2-naphthalen-2-ylethyl)-3-methylbutanamide
CID 111112176
1-[(2S)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 95189519
2-[cyclopropyl(1-naphthalen-2-ylethyl)amino]-N-(propylcarbamoyl)acetamide
CID 60588161
N-(2-hydroxy-2-naphthalen-2-ylethyl)oxane-4-carboxamide
CID 111112227
1-cyclopropyl-N-(2-hydroxy-2-naphthalen-2-ylethyl)pyrrole-2-carboxamide
CID 110007591
1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
CID 111111338
1-(2,6-difluorophenyl)-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea
CID 111111298
1-[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]-3-[(2S)-4-methoxybutan-2-yl]urea
CID 95190317

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea?
The IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea (CID 111111222) is 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea.
What is the SMILES notation for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea?
The canonical SMILES for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea is CCN(CCNC(=O)NCC(O)c1ccc2ccccc2c1)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea?
The InChIKey is GXDVYJJAMWWUMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-2-23(18-9-10-18)12-11-21-20(25)22-14-19(24)17-8-7-15-5-3-4-6-16(15)13-17/h3-8,13,18-19,24H,2,9-12,14H2,1H3,(H2,21,22,25).
What are the key properties of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea?
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea has a molecular weight of 341.45 g/mol, XLogP of 2.66, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(2-hydroxy-2-naphthalen-2-ylethyl)urea is sourced from PubChem (CID 111111222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).