1-cyclopentyl-3-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]urea

C17H26N2O3 — CID 110775953

IUPAC1-cyclopentyl-3-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC2CCCC2)c(OC)c1C
InChIInChI=1S/C17H26N2O3/c1-12-15(21-2)9-8-13(16(12)22-3)10-11-18-17(20)19-14-6-4-5-7-14/h8-9,14H,4-7,10-11H2,1-3H3,(H2,18,19,20)
InChIKeyNNYKCLLFSPMINI-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.80
Rot. Bonds6

About 1-cyclopentyl-3-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]urea

1-cyclopentyl-3-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]urea (PubChem CID 110775953) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]urea
PubChem CID110775953
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-cyclopentyl-3-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)NC2CCCC2)c(OC)c1C
InChIInChI=1S/C17H26N2O3/c1-12-15(21-2)9-8-13(16(12)22-3)10-11-18-17(20)19-14-6-4-5-7-14/h8-9,14H,4-7,10-11H2,1-3H3,(H2,18,19,20)
InChIKeyNNYKCLLFSPMINI-UHFFFAOYSA-N
XLogP2.80
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[2-(5-fluoro-2-methoxyphenyl)ethyl]urea
CID 110775679
N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110789686
1-[2-(5-chloro-4-methoxy-2-methylphenyl)ethyl]-3-cyclopentylurea
CID 110775836
1-cyano-N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]formamide
CID 115172516
N-[(2,4-dimethoxy-3-methylphenyl)methyl]cyclohexanamine;oxalic acid
CID 2849724
1-cyclohexyl-3-[2-(4-ethoxy-3-methoxyphenyl)ethyl]urea
CID 108891509
1-cyclopentyl-3-[(2-methoxy-4,5-dimethylphenyl)methyl]urea
CID 110774921
1-cyclopentyl-3-[(5-fluoro-2-methoxyphenyl)methyl]urea
CID 110774857
N-cyclopentyl-1-[(3R)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]triazole-4-carboxamide
CID 26332983
1-cyclohexyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea
CID 23360949
1-cyclohexyl-3-[2-(2-methoxy-5-methyl-N-methylsulfonylanilino)ethyl]urea
CID 113070684
1-[(5-amino-2-methoxyphenyl)methyl]-3-cyclohexylurea
CID 61013606

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]urea?
The IUPAC name of 1-cyclopentyl-3-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]urea (CID 110775953) is 1-cyclopentyl-3-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]urea is COc1ccc(CCNC(=O)NC2CCCC2)c(OC)c1C.
What is the InChIKey of 1-cyclopentyl-3-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]urea?
The InChIKey is NNYKCLLFSPMINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-12-15(21-2)9-8-13(16(12)22-3)10-11-18-17(20)19-14-6-4-5-7-14/h8-9,14H,4-7,10-11H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-cyclopentyl-3-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]urea?
1-cyclopentyl-3-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]urea has a molecular weight of 306.41 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]urea is sourced from PubChem (CID 110775953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).