(naphthalen-1-ylamino) propanoate

C13H13NO2 — CID 174368377

IUPAC(naphthalen-1-ylamino) propanoate
SMILESCCC(=O)ONc1cccc2ccccc12
InChIInChI=1S/C13H13NO2/c1-2-13(15)16-14-12-9-5-7-10-6-3-4-8-11(10)12/h3-9,14H,2H2,1H3
InChIKeyDPFKFYAWVXPXLD-UHFFFAOYSA-N
MW215.25 g/mol
LogP3.12
Rot. Bonds3

About (naphthalen-1-ylamino) propanoate

(naphthalen-1-ylamino) propanoate (PubChem CID 174368377) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (naphthalen-1-ylamino) propanoate.

Molecular Properties

Compound Name(naphthalen-1-ylamino) propanoate
PubChem CID174368377
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(naphthalen-1-ylamino) propanoate
SMILESCCC(=O)ONc1cccc2ccccc12
InChIInChI=1S/C13H13NO2/c1-2-13(15)16-14-12-9-5-7-10-6-3-4-8-11(10)12/h3-9,14H,2H2,1H3
InChIKeyDPFKFYAWVXPXLD-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(naphthalen-1-ylamino) carbamate
CID 57425997
[2-(naphthalen-1-ylamino)-2-oxoethyl] propanoate
CID 2352930
naphthalen-1-ylmethyl propanoate
CID 13262702
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
1-naphthalen-1-yl-3-[5-(naphthalen-1-ylcarbamoylamino)naphthalen-1-yl]urea
CID 27190755
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059
1-naphthalen-1-yl-3-(2-propoxyphenyl)urea
CID 2067216
(2-methylanilino) hexanoate
CID 174905248
1-[(2S)-butan-2-yl]-3-naphthalen-1-ylurea
CID 2241028
N-naphthalen-1-yl-2-(4-propanoylphenoxy)acetamide
CID 7044052
naphthalen-1-ylurea;hydrochloride
CID 141142203
2,2-dimethyl-N-naphthalen-1-ylbutanamide
CID 59672446

Frequently Asked Questions

What is the IUPAC name of (naphthalen-1-ylamino) propanoate?
The IUPAC name of (naphthalen-1-ylamino) propanoate (CID 174368377) is (naphthalen-1-ylamino) propanoate.
What is the SMILES notation for (naphthalen-1-ylamino) propanoate?
The canonical SMILES for (naphthalen-1-ylamino) propanoate is CCC(=O)ONc1cccc2ccccc12.
What is the InChIKey of (naphthalen-1-ylamino) propanoate?
The InChIKey is DPFKFYAWVXPXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-13(15)16-14-12-9-5-7-10-6-3-4-8-11(10)12/h3-9,14H,2H2,1H3.
What are the key properties of (naphthalen-1-ylamino) propanoate?
(naphthalen-1-ylamino) propanoate has a molecular weight of 215.25 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (naphthalen-1-ylamino) propanoate is sourced from PubChem (CID 174368377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).