1-[2-[3-(cyclopropanecarbonyl)-7-methoxynaphthalen-1-yl]ethyl]-3-propylurea

C21H26N2O3 — CID 23360854

IUPAC1-[2-[3-(cyclopropanecarbonyl)-7-methoxynaphthalen-1-yl]ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1cc(C(=O)C2CC2)cc2ccc(OC)cc12
InChIInChI=1S/C21H26N2O3/c1-3-9-22-21(25)23-10-8-16-12-17(20(24)14-4-5-14)11-15-6-7-18(26-2)13-19(15)16/h6-7,11-14H,3-5,8-10H2,1-2H3,(H2,22,23,25)
InChIKeySLCYQQYOUDDSJC-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.69
Rot. Bonds8

About 1-[2-[3-(cyclopropanecarbonyl)-7-methoxynaphthalen-1-yl]ethyl]-3-propylurea

1-[2-[3-(cyclopropanecarbonyl)-7-methoxynaphthalen-1-yl]ethyl]-3-propylurea (PubChem CID 23360854) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[2-[3-(cyclopropanecarbonyl)-7-methoxynaphthalen-1-yl]ethyl]-3-propylurea.

Molecular Properties

Compound Name1-[2-[3-(cyclopropanecarbonyl)-7-methoxynaphthalen-1-yl]ethyl]-3-propylurea
PubChem CID23360854
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name1-[2-[3-(cyclopropanecarbonyl)-7-methoxynaphthalen-1-yl]ethyl]-3-propylurea
SMILESCCCNC(=O)NCCc1cc(C(=O)C2CC2)cc2ccc(OC)cc12
InChIInChI=1S/C21H26N2O3/c1-3-9-22-21(25)23-10-8-16-12-17(20(24)14-4-5-14)11-15-6-7-18(26-2)13-19(15)16/h6-7,11-14H,3-5,8-10H2,1-2H3,(H2,22,23,25)
InChIKeySLCYQQYOUDDSJC-UHFFFAOYSA-N
XLogP3.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-propylurea
CID 23360827
1-ethyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea
CID 23360900
1-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]-3-hexylurea
CID 23360895
1-cyclohexyl-3-[2-(3-ethyl-7-methoxynaphthalen-1-yl)ethyl]urea
CID 23360949
N-[2-[3-(hydroxymethyl)-7-methoxynaphthalen-1-yl]ethyl]acetamide
CID 25167837
N-[2-[3-(cyclopropanecarbonyl)naphthalen-1-yl]ethyl]cyclopropanecarboxamide
CID 19426776
N-[2-(3-bromo-7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 12985488
N-[2-(8-methoxybenzo[e][1]benzofuran-1-yl)ethyl]cyclopropanecarboxamide
CID 127026426
N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 139057200
methanol;N-[2-(7-methoxynaphthalen-1-yl)ethyl]acetamide
CID 174597749
1-[(4-methoxyphenyl)methyl]-3-propylurea
CID 41355184
N-[(7-methoxynaphthalen-1-yl)methoxy]cyclopropanecarboxamide
CID 19967333

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(cyclopropanecarbonyl)-7-methoxynaphthalen-1-yl]ethyl]-3-propylurea?
The IUPAC name of 1-[2-[3-(cyclopropanecarbonyl)-7-methoxynaphthalen-1-yl]ethyl]-3-propylurea (CID 23360854) is 1-[2-[3-(cyclopropanecarbonyl)-7-methoxynaphthalen-1-yl]ethyl]-3-propylurea.
What is the SMILES notation for 1-[2-[3-(cyclopropanecarbonyl)-7-methoxynaphthalen-1-yl]ethyl]-3-propylurea?
The canonical SMILES for 1-[2-[3-(cyclopropanecarbonyl)-7-methoxynaphthalen-1-yl]ethyl]-3-propylurea is CCCNC(=O)NCCc1cc(C(=O)C2CC2)cc2ccc(OC)cc12.
What is the InChIKey of 1-[2-[3-(cyclopropanecarbonyl)-7-methoxynaphthalen-1-yl]ethyl]-3-propylurea?
The InChIKey is SLCYQQYOUDDSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-3-9-22-21(25)23-10-8-16-12-17(20(24)14-4-5-14)11-15-6-7-18(26-2)13-19(15)16/h6-7,11-14H,3-5,8-10H2,1-2H3,(H2,22,23,25).
What are the key properties of 1-[2-[3-(cyclopropanecarbonyl)-7-methoxynaphthalen-1-yl]ethyl]-3-propylurea?
1-[2-[3-(cyclopropanecarbonyl)-7-methoxynaphthalen-1-yl]ethyl]-3-propylurea has a molecular weight of 354.45 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(cyclopropanecarbonyl)-7-methoxynaphthalen-1-yl]ethyl]-3-propylurea is sourced from PubChem (CID 23360854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).