3-naphthalen-1-ylpropyl carbamate

C14H15NO2 — CID 175301350

IUPAC3-naphthalen-1-ylpropyl carbamate
SMILESNC(=O)OCCCc1cccc2ccccc12
InChIInChI=1S/C14H15NO2/c15-14(16)17-10-4-8-12-7-3-6-11-5-1-2-9-13(11)12/h1-3,5-7,9H,4,8,10H2,(H2,15,16)
InChIKeyKQAZSAKUULQLTL-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.87
Rot. Bonds4

About 3-naphthalen-1-ylpropyl carbamate

3-naphthalen-1-ylpropyl carbamate (PubChem CID 175301350) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-naphthalen-1-ylpropyl carbamate.

Molecular Properties

Compound Name3-naphthalen-1-ylpropyl carbamate
PubChem CID175301350
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-naphthalen-1-ylpropyl carbamate
SMILESNC(=O)OCCCc1cccc2ccccc12
InChIInChI=1S/C14H15NO2/c15-14(16)17-10-4-8-12-7-3-6-11-5-1-2-9-13(11)12/h1-3,5-7,9H,4,8,10H2,(H2,15,16)
InChIKeyKQAZSAKUULQLTL-UHFFFAOYSA-N
XLogP2.87
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(3-naphthalen-1-ylpropoxy)propyl]naphthalene
CID 139748426
3-(2-naphthalen-1-ylacetyl)oxypropyl 2-naphthalen-1-ylacetate
CID 7503589
2-naphthalen-1-ylethyl acetate
CID 592920
2-(3-naphthalen-1-ylpropylamino)acetamide;dihydrochloride
CID 69310962
3-naphthalen-1-ylpropan-1-ol
CID 14711518
2-(2-naphthalen-1-ylethoxy)propanamide
CID 90988420
carbamic acid;naphthalen-1-ylmethanol
CID 71402043
1-(4-methoxybutyl)naphthalene
CID 69278949
3-anthracen-1-ylpropyl 2-methylprop-2-enoate
CID 164705675
2-naphthalen-1-ylethanol;2-naphthalen-1-ylethyl acetate
CID 158105320
8-naphthalen-1-yloctan-1-amine
CID 100987116
acetic acid;1-(2-bromoethyl)naphthalene
CID 174648093

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylpropyl carbamate?
The IUPAC name of 3-naphthalen-1-ylpropyl carbamate (CID 175301350) is 3-naphthalen-1-ylpropyl carbamate.
What is the SMILES notation for 3-naphthalen-1-ylpropyl carbamate?
The canonical SMILES for 3-naphthalen-1-ylpropyl carbamate is NC(=O)OCCCc1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-ylpropyl carbamate?
The InChIKey is KQAZSAKUULQLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c15-14(16)17-10-4-8-12-7-3-6-11-5-1-2-9-13(11)12/h1-3,5-7,9H,4,8,10H2,(H2,15,16).
What are the key properties of 3-naphthalen-1-ylpropyl carbamate?
3-naphthalen-1-ylpropyl carbamate has a molecular weight of 229.28 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylpropyl carbamate is sourced from PubChem (CID 175301350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).