2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid

C15H15NO3 — CID 63688328

IUPAC2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid
SMILESCCN(C=O)C(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C15H15NO3/c1-2-16(10-17)14(15(18)19)13-9-5-7-11-6-3-4-8-12(11)13/h3-10,14H,2H2,1H3,(H,18,19)
InChIKeyNOYHWTMWQHOHPI-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.44
Rot. Bonds5

About 2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid

2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid (PubChem CID 63688328) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid.

Molecular Properties

Compound Name2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid
PubChem CID63688328
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid
SMILESCCN(C=O)C(C(=O)O)c1cccc2ccccc12
InChIInChI=1S/C15H15NO3/c1-2-16(10-17)14(15(18)19)13-9-5-7-11-6-3-4-8-12(11)13/h3-10,14H,2H2,1H3,(H,18,19)
InChIKeyNOYHWTMWQHOHPI-UHFFFAOYSA-N
XLogP2.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[ethyl(formyl)amino]-2-(2-methoxyphenyl)acetic acid
CID 63688327
N,N-diethyl-2-naphthalen-1-ylpropanamide
CID 15100949
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
2-(3-bromophenyl)-2-[ethyl(formyl)amino]acetic acid
CID 63688329
2-formamido-2-naphthalen-1-ylacetic acid
CID 63689501
2-[ethyl(formyl)amino]-2-(4-methoxyphenyl)acetic acid
CID 55233202
2-(4-chloro-2-fluorophenyl)-2-[ethyl(formyl)amino]acetic acid
CID 114843784
tert-butyl-(1-naphthalen-1-yl-2-oxoethyl)carbamic acid
CID 173410793
3-[ethyl(1-naphthalen-1-ylethyl)amino]-2-methylpropanoic acid
CID 65060972
1-(dimethylamino)-3-methyl-1-naphthalen-1-ylbutan-2-one;methane
CID 157116142
2-(3,5-difluorophenyl)-2-[ethyl(formyl)amino]acetic acid
CID 106528971
methyl 2-(dimethylamino)-2-naphthalen-1-ylacetate
CID 116857163

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid?
The IUPAC name of 2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid (CID 63688328) is 2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid.
What is the SMILES notation for 2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid?
The canonical SMILES for 2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid is CCN(C=O)C(C(=O)O)c1cccc2ccccc12.
What is the InChIKey of 2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid?
The InChIKey is NOYHWTMWQHOHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-16(10-17)14(15(18)19)13-9-5-7-11-6-3-4-8-12(11)13/h3-10,14H,2H2,1H3,(H,18,19).
What are the key properties of 2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid?
2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid has a molecular weight of 257.29 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(formyl)amino]-2-naphthalen-1-ylacetic acid is sourced from PubChem (CID 63688328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).