1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-naphthalen-1-ylurea

C24H27N3O2 — CID 17460329

IUPAC1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-naphthalen-1-ylurea
SMILESCOc1ccc(C(CNC(=O)Nc2cccc3ccccc23)N2CCCC2)cc1
InChIInChI=1S/C24H27N3O2/c1-29-20-13-11-19(12-14-20)23(27-15-4-5-16-27)17-25-24(28)26-22-10-6-8-18-7-2-3-9-21(18)22/h2-3,6-14,23H,4-5,15-17H2,1H3,(H2,25,26,28)
InChIKeyFXNKBNRAYCWCFB-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.81
Rot. Bonds6

About 1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-naphthalen-1-ylurea

1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-naphthalen-1-ylurea (PubChem CID 17460329) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-naphthalen-1-ylurea
PubChem CID17460329
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-naphthalen-1-ylurea
SMILESCOc1ccc(C(CNC(=O)Nc2cccc3ccccc23)N2CCCC2)cc1
InChIInChI=1S/C24H27N3O2/c1-29-20-13-11-19(12-14-20)23(27-15-4-5-16-27)17-25-24(28)26-22-10-6-8-18-7-2-3-9-21(18)22/h2-3,6-14,23H,4-5,15-17H2,1H3,(H2,25,26,28)
InChIKeyFXNKBNRAYCWCFB-UHFFFAOYSA-N
XLogP4.81
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide;hydrochloride
CID 52985345
1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]urea
CID 43016379
1-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea
CID 30293942
1-[2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-3-(2-methoxyphenyl)urea
CID 43956388
2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 60615784
1-[2-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-3-phenylurea
CID 16803372
(2S)-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-(1-oxoisoquinolin-2-yl)propanamide
CID 100742411
N-[3-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-oxopropyl]benzamide
CID 40898083
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-naphthalen-1-ylurea?
The IUPAC name of 1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-naphthalen-1-ylurea (CID 17460329) is 1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-naphthalen-1-ylurea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-naphthalen-1-ylurea is COc1ccc(C(CNC(=O)Nc2cccc3ccccc23)N2CCCC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-naphthalen-1-ylurea?
The InChIKey is FXNKBNRAYCWCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-29-20-13-11-19(12-14-20)23(27-15-4-5-16-27)17-25-24(28)26-22-10-6-8-18-7-2-3-9-21(18)22/h2-3,6-14,23H,4-5,15-17H2,1H3,(H2,25,26,28).
What are the key properties of 1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-naphthalen-1-ylurea?
1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-naphthalen-1-ylurea has a molecular weight of 389.50 g/mol, XLogP of 4.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-naphthalen-1-ylurea is sourced from PubChem (CID 17460329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).