(2S)-2-ethoxy-N-(4-methoxynaphthalen-1-yl)-2-methylheptanamide

C21H29NO3 — CID 100761479

IUPAC(2S)-2-ethoxy-N-(4-methoxynaphthalen-1-yl)-2-methylheptanamide
SMILESCCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c2ccccc12
InChIInChI=1S/C21H29NO3/c1-5-7-10-15-21(3,25-6-2)20(23)22-18-13-14-19(24-4)17-12-9-8-11-16(17)18/h8-9,11-14H,5-7,10,15H2,1-4H3,(H,22,23)/t21-/m0/s1
InChIKeyPYUNNXNFHDHIDU-NRFANRHFSA-N
MW343.47 g/mol
LogP5.16
Rot. Bonds9

About (2S)-2-ethoxy-N-(4-methoxynaphthalen-1-yl)-2-methylheptanamide

(2S)-2-ethoxy-N-(4-methoxynaphthalen-1-yl)-2-methylheptanamide (PubChem CID 100761479) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is (2S)-2-ethoxy-N-(4-methoxynaphthalen-1-yl)-2-methylheptanamide.

Molecular Properties

Compound Name(2S)-2-ethoxy-N-(4-methoxynaphthalen-1-yl)-2-methylheptanamide
PubChem CID100761479
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name(2S)-2-ethoxy-N-(4-methoxynaphthalen-1-yl)-2-methylheptanamide
SMILESCCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c2ccccc12
InChIInChI=1S/C21H29NO3/c1-5-7-10-15-21(3,25-6-2)20(23)22-18-13-14-19(24-4)17-12-9-8-11-16(17)18/h8-9,11-14H,5-7,10,15H2,1-4H3,(H,22,23)/t21-/m0/s1
InChIKeyPYUNNXNFHDHIDU-NRFANRHFSA-N
XLogP5.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-ethoxy-N-(4-methoxynaphthalen-1-yl)-2-methylheptanamide 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

(2R)-2-methoxy-N-(4-methoxynaphthalen-1-yl)-2-methylhexanamide
CID 100755111
(2R)-2-ethoxy-N-(8-methoxyquinolin-5-yl)-2-methylheptanamide
CID 100776850
N-(4-butan-2-yloxynaphthalen-1-yl)-2-ethoxy-2-methylheptanamide
CID 133203923
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]hexanamide
CID 100761072
2-ethoxy-2-methyl-N-(8-propoxyquinolin-5-yl)heptanamide
CID 133205790
(2S)-2-cyclopropyl-2-ethoxy-N-(4-methoxynaphthalen-1-yl)propanamide
CID 100763642
2-methyl-N-(4-propan-2-yloxynaphthalen-1-yl)-2-propoxyhexanamide
CID 133205372
(2R)-2-ethoxy-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]pentanamide
CID 100760364
(2S)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylhexanamide
CID 100776734
(2R)-N-(8-butoxyquinolin-5-yl)-2-ethoxy-2-methylpentanamide
CID 100776505
(2R)-2-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-2-propoxyhexanamide
CID 100766183
(2R)-N-(4-butoxynaphthalen-1-yl)-2-cyclopropyl-2-ethoxypropanamide
CID 100763689

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethoxy-N-(4-methoxynaphthalen-1-yl)-2-methylheptanamide?
The IUPAC name of (2S)-2-ethoxy-N-(4-methoxynaphthalen-1-yl)-2-methylheptanamide (CID 100761479) is (2S)-2-ethoxy-N-(4-methoxynaphthalen-1-yl)-2-methylheptanamide.
What is the SMILES notation for (2S)-2-ethoxy-N-(4-methoxynaphthalen-1-yl)-2-methylheptanamide?
The canonical SMILES for (2S)-2-ethoxy-N-(4-methoxynaphthalen-1-yl)-2-methylheptanamide is CCCCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c2ccccc12.
What is the InChIKey of (2S)-2-ethoxy-N-(4-methoxynaphthalen-1-yl)-2-methylheptanamide?
The InChIKey is PYUNNXNFHDHIDU-NRFANRHFSA-N. The full InChI is InChI=1S/C21H29NO3/c1-5-7-10-15-21(3,25-6-2)20(23)22-18-13-14-19(24-4)17-12-9-8-11-16(17)18/h8-9,11-14H,5-7,10,15H2,1-4H3,(H,22,23)/t21-/m0/s1.
What are the key properties of (2S)-2-ethoxy-N-(4-methoxynaphthalen-1-yl)-2-methylheptanamide?
(2S)-2-ethoxy-N-(4-methoxynaphthalen-1-yl)-2-methylheptanamide has a molecular weight of 343.47 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethoxy-N-(4-methoxynaphthalen-1-yl)-2-methylheptanamide is sourced from PubChem (CID 100761479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).