(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide

C26H31NO4 — CID 9372222

IUPAC(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCCOc1ccc(CCNC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1OCC
InChIInChI=1S/C26H31NO4/c1-5-30-24-12-7-19(15-25(24)31-6-2)13-14-27-26(28)18(3)20-8-9-22-17-23(29-4)11-10-21(22)16-20/h7-12,15-18H,5-6,13-14H2,1-4H3,(H,27,28)/t18-/m0/s1
InChIKeyXNBIAWSMXWWPOQ-SFHVURJKSA-N
MW421.54 g/mol
LogP5.11
Rot. Bonds10

About (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide

(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 9372222) has the molecular formula C26H31NO4 and a molecular weight of 421.54 g/mol. Its IUPAC name is (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID9372222
Molecular FormulaC26H31NO4
Molecular Weight421.54 g/mol
Exact Mass421.23
IUPAC Name(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCCOc1ccc(CCNC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1OCC
InChIInChI=1S/C26H31NO4/c1-5-30-24-12-7-19(15-25(24)31-6-2)13-14-27-26(28)18(3)20-8-9-22-17-23(29-4)11-10-21(22)16-20/h7-12,15-18H,5-6,13-14H2,1-4H3,(H,27,28)/t18-/m0/s1
InChIKeyXNBIAWSMXWWPOQ-SFHVURJKSA-N
XLogP5.11
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.54
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-ethoxyphenoxy)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 42917740
(2S)-N-(2,5-diethoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9118488
N-[2-(ethylamino)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 119505947
N-[2-(3,4-diethoxyphenyl)ethyl]-2,4-dimethoxybenzamide
CID 9474056
(2S)-N-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9207324
2-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]propanamide
CID 43244618
(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(2,5-dimethoxyphenyl)prop-2-enamide
CID 42991733
N-[2-(3,4-diethoxyphenyl)ethyl]-4-(4-methoxyphenoxy)butanamide
CID 26120273
1-[2-(3,4-diethoxyphenyl)ethyl]-3-ethyl-2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]guanidine
CID 111246509
(2S)-N-(2-hydroxypropyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 110901591
N-[2-(3,4-diethoxyphenyl)ethyl]-2-methylpentanamide
CID 78778646
1-[2-(4-ethoxy-3-methoxyphenyl)ethyl]-3-(2-hydroxypropyl)urea
CID 108891611

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide (CID 9372222) is (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide is CCOc1ccc(CCNC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1OCC.
What is the InChIKey of (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is XNBIAWSMXWWPOQ-SFHVURJKSA-N. The full InChI is InChI=1S/C26H31NO4/c1-5-30-24-12-7-19(15-25(24)31-6-2)13-14-27-26(28)18(3)20-8-9-22-17-23(29-4)11-10-21(22)16-20/h7-12,15-18H,5-6,13-14H2,1-4H3,(H,27,28)/t18-/m0/s1.
What are the key properties of (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide?
(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 421.54 g/mol, XLogP of 5.11, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 9372222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).