1-(2-naphthalen-2-yloxyethyl)-3-propylurea

C16H20N2O2 — CID 95904010

IUPAC1-(2-naphthalen-2-yloxyethyl)-3-propylurea
SMILESCCCNC(=O)NCCOc1ccc2ccccc2c1
InChIInChI=1S/C16H20N2O2/c1-2-9-17-16(19)18-10-11-20-15-8-7-13-5-3-4-6-14(13)12-15/h3-8,12H,2,9-11H2,1H3,(H2,17,18,19)
InChIKeyCZAANDNQYAVIQI-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.93
Rot. Bonds6

About 1-(2-naphthalen-2-yloxyethyl)-3-propylurea

1-(2-naphthalen-2-yloxyethyl)-3-propylurea (PubChem CID 95904010) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(2-naphthalen-2-yloxyethyl)-3-propylurea.

Molecular Properties

Compound Name1-(2-naphthalen-2-yloxyethyl)-3-propylurea
PubChem CID95904010
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(2-naphthalen-2-yloxyethyl)-3-propylurea
SMILESCCCNC(=O)NCCOc1ccc2ccccc2c1
InChIInChI=1S/C16H20N2O2/c1-2-9-17-16(19)18-10-11-20-15-8-7-13-5-3-4-6-14(13)12-15/h3-8,12H,2,9-11H2,1H3,(H2,17,18,19)
InChIKeyCZAANDNQYAVIQI-UHFFFAOYSA-N
XLogP2.93
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.93
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-bromophenoxy)ethyl]-3-propylurea
CID 47130861
1-[2-(3,5-dimethoxyphenoxy)ethyl]-3-propylurea
CID 112975595
3-amino-N-(2-naphthalen-2-yloxyethyl)butanamide
CID 119694969
N-(5-naphthalen-2-yloxypentyl)acetamide
CID 175828319
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide
CID 119274156
N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide
CID 9022506
2-(3,5-dimethylphenoxy)-N-(2-naphthalen-2-yloxyethyl)butanamide
CID 133252076
N-(3-naphthalen-2-yloxypropyl)dodecan-1-amine
CID 10451764
1-[4-(4-ethylpiperazin-1-yl)phenyl]-3-(2-naphthalen-2-yloxyethyl)urea
CID 154773806
1-butyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972940
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119274155
2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133240086

Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-2-yloxyethyl)-3-propylurea?
The IUPAC name of 1-(2-naphthalen-2-yloxyethyl)-3-propylurea (CID 95904010) is 1-(2-naphthalen-2-yloxyethyl)-3-propylurea.
What is the SMILES notation for 1-(2-naphthalen-2-yloxyethyl)-3-propylurea?
The canonical SMILES for 1-(2-naphthalen-2-yloxyethyl)-3-propylurea is CCCNC(=O)NCCOc1ccc2ccccc2c1.
What is the InChIKey of 1-(2-naphthalen-2-yloxyethyl)-3-propylurea?
The InChIKey is CZAANDNQYAVIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-9-17-16(19)18-10-11-20-15-8-7-13-5-3-4-6-14(13)12-15/h3-8,12H,2,9-11H2,1H3,(H2,17,18,19).
What are the key properties of 1-(2-naphthalen-2-yloxyethyl)-3-propylurea?
1-(2-naphthalen-2-yloxyethyl)-3-propylurea has a molecular weight of 272.35 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-2-yloxyethyl)-3-propylurea is sourced from PubChem (CID 95904010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).