1-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea

C16H20N2O2 — CID 60615932

IUPAC1-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea
SMILESCOCCC(C)NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-12(10-11-20-2)17-16(19)18-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12H,10-11H2,1-2H3,(H2,17,18,19)
InChIKeyKGEAXOAZOXCPOV-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.39
Rot. Bonds5

About 1-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea

1-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea (PubChem CID 60615932) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea.

Molecular Properties

Compound Name1-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea
PubChem CID60615932
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea
SMILESCOCCC(C)NC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C16H20N2O2/c1-12(10-11-20-2)17-16(19)18-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12H,10-11H2,1-2H3,(H2,17,18,19)
InChIKeyKGEAXOAZOXCPOV-UHFFFAOYSA-N
XLogP3.39
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-butan-2-yl]-3-naphthalen-1-ylurea
CID 2241028
1-[(2R)-1-aminopropan-2-yl]-3-naphthalen-1-ylurea
CID 104877165
(2S)-3-methoxy-2-(naphthalen-1-ylcarbamoylamino)propanamide
CID 99796982
(2R)-N-[(2S)-butan-2-yl]-2-(naphthalen-1-ylcarbamoylamino)propanamide
CID 52506002
1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-(4-phenylbutan-2-yl)urea
CID 60594908
1-(1-cyanoethyl)-3-naphthalen-1-ylurea
CID 54904343
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-3-naphthalen-1-ylurea
CID 40647880
N-(2-methoxyethyl)-2-(naphthalen-1-ylamino)propanamide
CID 43086869
2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783
1-(2-hydroxypropyl)-3-naphthalen-1-ylurea
CID 17468556

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea?
The IUPAC name of 1-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea (CID 60615932) is 1-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea.
What is the SMILES notation for 1-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea?
The canonical SMILES for 1-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea is COCCC(C)NC(=O)Nc1cccc2ccccc12.
What is the InChIKey of 1-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea?
The InChIKey is KGEAXOAZOXCPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(10-11-20-2)17-16(19)18-15-9-5-7-13-6-3-4-8-14(13)15/h3-9,12H,10-11H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea?
1-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea has a molecular weight of 272.35 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutan-2-yl)-3-naphthalen-1-ylurea is sourced from PubChem (CID 60615932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).