1-[(3-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea

C22H28N2O2 — CID 108898313

IUPAC1-[(3-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
SMILESCCC(NC(=O)NCc1cccc(OC)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H28N2O2/c1-3-21(19-12-11-17-8-4-5-9-18(17)14-19)24-22(25)23-15-16-7-6-10-20(13-16)26-2/h6-7,10-14,21H,3-5,8-9,15H2,1-2H3,(H2,23,24,25)
InChIKeyWKQYMCZGQOXRTM-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.52
Rot. Bonds6

About 1-[(3-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea

1-[(3-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea (PubChem CID 108898313) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-[(3-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea.

Molecular Properties

Compound Name1-[(3-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
PubChem CID108898313
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-[(3-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
SMILESCCC(NC(=O)NCc1cccc(OC)c1)c1ccc2c(c1)CCCC2
InChIInChI=1S/C22H28N2O2/c1-3-21(19-12-11-17-8-4-5-9-18(17)14-19)24-22(25)23-15-16-7-6-10-20(13-16)26-2/h6-7,10-14,21H,3-5,8-9,15H2,1-2H3,(H2,23,24,25)
InChIKeyWKQYMCZGQOXRTM-UHFFFAOYSA-N
XLogP4.52
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(3-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea with MolForge

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Related Compounds

1-[(4-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]urea
CID 108868153
1-(2-methoxyphenyl)-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975029
1-phenyl-3-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975074
1-phenyl-3-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea
CID 99975075
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 127117899
1-(cyclopentylidenemethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108913758
1-[1-(4-methoxyphenyl)propyl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 60548027
(2S,3R)-2-[(3-methoxyphenyl)methylcarbamoylamino]-3-methylpentanoate
CID 2000260
N-[(1S)-1-(4-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100704372
1-[(1S)-1-(4-bromophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 27517850
1-[1-(4-bromophenyl)ethyl]-3-[(3-methoxyphenyl)methyl]urea
CID 42924542
(2S)-2-[(3-methoxyphenyl)methylcarbamoylamino]propanoate
CID 7529441

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea?
The IUPAC name of 1-[(3-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea (CID 108898313) is 1-[(3-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea.
What is the SMILES notation for 1-[(3-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea?
The canonical SMILES for 1-[(3-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea is CCC(NC(=O)NCc1cccc(OC)c1)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-[(3-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea?
The InChIKey is WKQYMCZGQOXRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-3-21(19-12-11-17-8-4-5-9-18(17)14-19)24-22(25)23-15-16-7-6-10-20(13-16)26-2/h6-7,10-14,21H,3-5,8-9,15H2,1-2H3,(H2,23,24,25).
What are the key properties of 1-[(3-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea?
1-[(3-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea has a molecular weight of 352.48 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methoxyphenyl)methyl]-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]urea is sourced from PubChem (CID 108898313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).