(2S)-2-(2-ethoxyethoxy)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]propanamide

C18H27NO3 — CID 95777260

IUPAC(2S)-2-(2-ethoxyethoxy)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]propanamide
SMILESCCOCCO[C@@H](C)C(=O)N[C@]1(C)CCc2ccccc2C1
InChIInChI=1S/C18H27NO3/c1-4-21-11-12-22-14(2)17(20)19-18(3)10-9-15-7-5-6-8-16(15)13-18/h5-8,14H,4,9-13H2,1-3H3,(H,19,20)/t14-,18+/m0/s1
InChIKeyKUSGJMCGXYDPPL-KBXCAEBGSA-N
MW305.42 g/mol
LogP2.49
Rot. Bonds7

About (2S)-2-(2-ethoxyethoxy)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]propanamide

(2S)-2-(2-ethoxyethoxy)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]propanamide (PubChem CID 95777260) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is (2S)-2-(2-ethoxyethoxy)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-ethoxyethoxy)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]propanamide
PubChem CID95777260
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name(2S)-2-(2-ethoxyethoxy)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]propanamide
SMILESCCOCCO[C@@H](C)C(=O)N[C@]1(C)CCc2ccccc2C1
InChIInChI=1S/C18H27NO3/c1-4-21-11-12-22-14(2)17(20)19-18(3)10-9-15-7-5-6-8-16(15)13-18/h5-8,14H,4,9-13H2,1-3H3,(H,19,20)/t14-,18+/m0/s1
InChIKeyKUSGJMCGXYDPPL-KBXCAEBGSA-N
XLogP2.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-(2-ethoxyethoxy)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-2-(oxan-4-yl)propanamide
CID 97243784
3-[2-(2-ethoxyethoxy)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119219180
(2S)-N-cyclopropyl-2-[[(2S)-2-(2-ethoxyethoxy)propanoyl]amino]-3-phenylpropanamide
CID 95159522
N-(2-tert-butylphenyl)-2-(2-ethoxyethoxy)propanamide
CID 60546063
(2R)-N-[(1R,2S)-2-(2-chlorophenyl)cyclopropyl]-2-(2-ethoxyethoxy)propanamide
CID 124826238
(2R)-N-(3-acetamido-2-pyridinyl)-2-(2-ethoxyethoxy)propanamide
CID 97352364
N-butan-2-yl-2-methyl-1,3-dihydroinden-2-amine
CID 115922520
N-(2,4-difluorophenyl)-2-(2-ethoxyethoxy)propanamide
CID 60546289
2-(2-ethoxyethoxy)-N-[4-(methylcarbamoylamino)phenyl]propanamide
CID 47078303
5-(methoxymethyl)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]-1,2-oxazole-3-carboxamide
CID 96565847
2-(2-ethoxyethyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 62621096
(2R)-2-(2-ethoxyethoxy)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]propanamide
CID 94823273

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethoxyethoxy)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]propanamide?
The IUPAC name of (2S)-2-(2-ethoxyethoxy)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]propanamide (CID 95777260) is (2S)-2-(2-ethoxyethoxy)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(2-ethoxyethoxy)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]propanamide?
The canonical SMILES for (2S)-2-(2-ethoxyethoxy)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]propanamide is CCOCCO[C@@H](C)C(=O)N[C@]1(C)CCc2ccccc2C1.
What is the InChIKey of (2S)-2-(2-ethoxyethoxy)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]propanamide?
The InChIKey is KUSGJMCGXYDPPL-KBXCAEBGSA-N. The full InChI is InChI=1S/C18H27NO3/c1-4-21-11-12-22-14(2)17(20)19-18(3)10-9-15-7-5-6-8-16(15)13-18/h5-8,14H,4,9-13H2,1-3H3,(H,19,20)/t14-,18+/m0/s1.
What are the key properties of (2S)-2-(2-ethoxyethoxy)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]propanamide?
(2S)-2-(2-ethoxyethoxy)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]propanamide has a molecular weight of 305.42 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethoxyethoxy)-N-[(2R)-2-methyl-3,4-dihydro-1H-naphthalen-2-yl]propanamide is sourced from PubChem (CID 95777260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).