(2S)-N-(2,5-diethoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide

C24H27NO4 — CID 9118488

IUPAC(2S)-N-(2,5-diethoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCCOc1ccc(OCC)c(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c1
InChIInChI=1S/C24H27NO4/c1-5-28-21-11-12-23(29-6-2)22(15-21)25-24(26)16(3)17-7-8-19-14-20(27-4)10-9-18(19)13-17/h7-16H,5-6H2,1-4H3,(H,25,26)/t16-/m0/s1
InChIKeyBDVZKYUPDINBFD-INIZCTEOSA-N
MW393.48 g/mol
LogP5.39
Rot. Bonds8

About (2S)-N-(2,5-diethoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide

(2S)-N-(2,5-diethoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 9118488) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is (2S)-N-(2,5-diethoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(2,5-diethoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID9118488
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name(2S)-N-(2,5-diethoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCCOc1ccc(OCC)c(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c1
InChIInChI=1S/C24H27NO4/c1-5-28-21-11-12-23(29-6-2)22(15-21)25-24(26)16(3)17-7-8-19-14-20(27-4)10-9-18(19)13-17/h7-16H,5-6H2,1-4H3,(H,25,26)/t16-/m0/s1
InChIKeyBDVZKYUPDINBFD-INIZCTEOSA-N
XLogP5.39
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(2-ethoxy-5-morpholin-4-ylsulfonylphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 55937759
N-(2,5-diethoxyphenyl)-2-methoxypropanamide
CID 47301395
N-[2-(4-ethoxyphenoxy)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 42917740
(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9372222
(2S)-2-(6-methoxynaphthalen-2-yl)-N-[2-(2-methylprop-2-enoxy)phenyl]propanamide
CID 54790110
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide
CID 39951625
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
CID 39951624
2-acetamido-N-(2,5-diethoxyphenyl)propanamide
CID 78778179
3-amino-N-(2-ethoxy-5-methoxyphenyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119774050
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
N-[2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]benzamide
CID 33145427
(2R)-2-(6-methoxynaphthalen-2-yl)-N-[(2S)-pentan-2-yl]propanamide
CID 95247403

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-diethoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of (2S)-N-(2,5-diethoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide (CID 9118488) is (2S)-N-(2,5-diethoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for (2S)-N-(2,5-diethoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for (2S)-N-(2,5-diethoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide is CCOc1ccc(OCC)c(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)c1.
What is the InChIKey of (2S)-N-(2,5-diethoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is BDVZKYUPDINBFD-INIZCTEOSA-N. The full InChI is InChI=1S/C24H27NO4/c1-5-28-21-11-12-23(29-6-2)22(15-21)25-24(26)16(3)17-7-8-19-14-20(27-4)10-9-18(19)13-17/h7-16H,5-6H2,1-4H3,(H,25,26)/t16-/m0/s1.
What are the key properties of (2S)-N-(2,5-diethoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
(2S)-N-(2,5-diethoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 393.48 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2,5-diethoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 9118488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).