3-(ethylamino)-N-naphthalen-2-ylpropanamide

C15H18N2O — CID 62833227

IUPAC3-(ethylamino)-N-naphthalen-2-ylpropanamide
SMILESCCNCCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C15H18N2O/c1-2-16-10-9-15(18)17-14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11,16H,2,9-10H2,1H3,(H,17,18)
InChIKeyNAEMQHVQROIEII-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.78
Rot. Bonds5

About 3-(ethylamino)-N-naphthalen-2-ylpropanamide

3-(ethylamino)-N-naphthalen-2-ylpropanamide (PubChem CID 62833227) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(ethylamino)-N-naphthalen-2-ylpropanamide.

Molecular Properties

Compound Name3-(ethylamino)-N-naphthalen-2-ylpropanamide
PubChem CID62833227
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-(ethylamino)-N-naphthalen-2-ylpropanamide
SMILESCCNCCC(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C15H18N2O/c1-2-16-10-9-15(18)17-14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11,16H,2,9-10H2,1H3,(H,17,18)
InChIKeyNAEMQHVQROIEII-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-(naphthalen-2-ylamino)-3-oxopropyl]azanium
CID 7021427
(2S)-2-bromo-N-[3-(naphthalen-2-ylamino)-3-oxopropyl]pentanamide
CID 26584980
N-naphthalen-2-yl-8-oxononanamide
CID 156626701
3-[3-(ethylamino)propanoylamino]benzoic acid
CID 62835721
3-(ethylamino)-N-(4-fluorophenyl)propanamide
CID 62832288
2-(hexadecylamino)-N-naphthalen-2-ylacetamide
CID 54808912
2-(diethylamino)-N-naphthalen-2-ylacetamide
CID 44883479
3-(ethylamino)-N-(3-methylsulfanylphenyl)propanamide
CID 62831539
2-chloro-5-[3-(ethylamino)propanoylamino]benzoic acid
CID 62834522
2-(dimethylamino)-N-naphthalen-2-ylacetamide
CID 54844205
methyl N-[4-[3-(ethylamino)propanoylamino]phenyl]carbamate
CID 62831983
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propanamide
CID 60702830

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-N-naphthalen-2-ylpropanamide?
The IUPAC name of 3-(ethylamino)-N-naphthalen-2-ylpropanamide (CID 62833227) is 3-(ethylamino)-N-naphthalen-2-ylpropanamide.
What is the SMILES notation for 3-(ethylamino)-N-naphthalen-2-ylpropanamide?
The canonical SMILES for 3-(ethylamino)-N-naphthalen-2-ylpropanamide is CCNCCC(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 3-(ethylamino)-N-naphthalen-2-ylpropanamide?
The InChIKey is NAEMQHVQROIEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-2-16-10-9-15(18)17-14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11,16H,2,9-10H2,1H3,(H,17,18).
What are the key properties of 3-(ethylamino)-N-naphthalen-2-ylpropanamide?
3-(ethylamino)-N-naphthalen-2-ylpropanamide has a molecular weight of 242.32 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-N-naphthalen-2-ylpropanamide is sourced from PubChem (CID 62833227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).