1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

C24H31N3O2 — CID 17448529

IUPAC1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCOc1ccc(C(CNC(=O)NC2CCCc3ccccc32)N2CCCC2)cc1
InChIInChI=1S/C24H31N3O2/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/h2-3,7,9,11-14,22-23H,4-6,8,10,15-17H2,1H3,(H2,25,26,28)
InChIKeyYLUVDRNXLYNMLD-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.21
Rot. Bonds6

About 1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea

1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (PubChem CID 17448529) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
PubChem CID17448529
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC Name1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
SMILESCOc1ccc(C(CNC(=O)NC2CCCc3ccccc32)N2CCCC2)cc1
InChIInChI=1S/C24H31N3O2/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/h2-3,7,9,11-14,22-23H,4-6,8,10,15-17H2,1H3,(H2,25,26,28)
InChIKeyYLUVDRNXLYNMLD-UHFFFAOYSA-N
XLogP4.21
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]-3-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]oxy]propan-2-ol
CID 51969205
1-[(3R)-1,1-dioxothiolan-3-yl]-3-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 129367897
1-[2-(2-methoxyphenyl)ethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 46486313
3-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoylamino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86962709
1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-naphthalen-1-ylurea
CID 17460329
3-(cyclohexylcarbamoylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 16620946
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
1-[2-(4-methoxyphenyl)-2-(4-methylpiperidin-1-yl)ethyl]-3-(2-methylpropyl)urea
CID 110622266
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976
[2-oxo-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] 4-methoxybenzoate
CID 2510220
(3S)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 30529658
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-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The IUPAC name of 1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea (CID 17448529) is 1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is COc1ccc(C(CNC(=O)NC2CCCc3ccccc32)N2CCCC2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
The InChIKey is YLUVDRNXLYNMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/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/h2-3,7,9,11-14,22-23H,4-6,8,10,15-17H2,1H3,(H2,25,26,28).
What are the key properties of 1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea?
1-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea has a molecular weight of 393.53 g/mol, XLogP of 4.21, 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-(1,2,3,4-tetrahydronaphthalen-1-yl)urea is sourced from PubChem (CID 17448529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).