1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea

C17H26N2O2 — CID 38159345

IUPAC1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea
SMILESCc1cccc(OCCNC(=O)NC2CCCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-14-7-6-10-16(13-14)21-12-11-18-17(20)19-15-8-4-2-3-5-9-15/h6-7,10,13,15H,2-5,8-9,11-12H2,1H3,(H2,18,19,20)
InChIKeyPEYHIVNJWQWRGV-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.40
Rot. Bonds5

About 1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea

1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea (PubChem CID 38159345) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea.

Molecular Properties

Compound Name1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea
PubChem CID38159345
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea
SMILESCc1cccc(OCCNC(=O)NC2CCCCCC2)c1
InChIInChI=1S/C17H26N2O2/c1-14-7-6-10-16(13-14)21-12-11-18-17(20)19-15-8-4-2-3-5-9-15/h6-7,10,13,15H,2-5,8-9,11-12H2,1H3,(H2,18,19,20)
InChIKeyPEYHIVNJWQWRGV-UHFFFAOYSA-N
XLogP3.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-methylphenoxy)ethyl]-3-(oxolan-3-yl)urea
CID 115758238
3-(cyclohexylcarbamoylamino)-N-[2-(3-methoxyphenoxy)ethyl]propanamide
CID 46413738
1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972938
1-cycloheptyl-3-[2-(2,4-dimethylphenoxy)ethyl]urea
CID 112973665
N-cyclopentyl-2-[2-(3-methylphenoxy)ethylamino]propanamide
CID 60654093
1-cycloheptyl-3-[2-(2-methylphenoxy)ethyl]urea
CID 112969798
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
1-[2-(2-chloro-5-methylphenoxy)ethyl]-3-cyclopentylurea
CID 112976796
1-[2-(4-bromophenoxy)ethyl]-3-cyclohexylurea
CID 47467269
1-cyclononyl-3-[(2S)-1-(3-methylphenoxy)-4-phenoxybutan-2-yl]urea
CID 163436088
1-cyclopentyl-3-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]urea
CID 112974844
2-amino-N-[2-(3-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 64824425

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea?
The IUPAC name of 1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea (CID 38159345) is 1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea.
What is the SMILES notation for 1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea?
The canonical SMILES for 1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea is Cc1cccc(OCCNC(=O)NC2CCCCCC2)c1.
What is the InChIKey of 1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea?
The InChIKey is PEYHIVNJWQWRGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14-7-6-10-16(13-14)21-12-11-18-17(20)19-15-8-4-2-3-5-9-15/h6-7,10,13,15H,2-5,8-9,11-12H2,1H3,(H2,18,19,20).
What are the key properties of 1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea?
1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea has a molecular weight of 290.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-[2-(3-methylphenoxy)ethyl]urea is sourced from PubChem (CID 38159345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).