(2S)-N-(4-hexoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide

C26H31NO3 — CID 54790083

IUPAC(2S)-N-(4-hexoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCCCCCCOc1ccc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1
InChIInChI=1S/C26H31NO3/c1-4-5-6-7-16-30-24-14-11-23(12-15-24)27-26(28)19(2)20-8-9-22-18-25(29-3)13-10-21(22)17-20/h8-15,17-19H,4-7,16H2,1-3H3,(H,27,28)/t19-/m0/s1
InChIKeyFZOYDKWSGHGKRD-IBGZPJMESA-N
MW405.54 g/mol
LogP6.55
Rot. Bonds10

About (2S)-N-(4-hexoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide

(2S)-N-(4-hexoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide (PubChem CID 54790083) has the molecular formula C26H31NO3 and a molecular weight of 405.54 g/mol. Its IUPAC name is (2S)-N-(4-hexoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-N-(4-hexoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
PubChem CID54790083
Molecular FormulaC26H31NO3
Molecular Weight405.54 g/mol
Exact Mass405.23
IUPAC Name(2S)-N-(4-hexoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
SMILESCCCCCCOc1ccc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1
InChIInChI=1S/C26H31NO3/c1-4-5-6-7-16-30-24-14-11-23(12-15-24)27-26(28)19(2)20-8-9-22-18-25(29-3)13-10-21(22)17-20/h8-15,17-19H,4-7,16H2,1-3H3,(H,27,28)/t19-/m0/s1
InChIKeyFZOYDKWSGHGKRD-IBGZPJMESA-N
XLogP6.55
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(6-methoxynaphthalen-2-yl)-N-[4-(2-phenylethoxy)phenyl]propanamide
CID 54790263
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide
CID 54790188
(2R)-N-(4-hexoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 8757311
heptyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261824
(2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 26689476
N-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 55363194
N-[2-(4-ethoxyphenoxy)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 42917740
butyl (2S)-2-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]propanoate
CID 118859513
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
N-(4-methoxyphenyl)-4-octoxybenzamide
CID 71343101
N-(4-heptoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953734
(2S)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 55941108

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-hexoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The IUPAC name of (2S)-N-(4-hexoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide (CID 54790083) is (2S)-N-(4-hexoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide.
What is the SMILES notation for (2S)-N-(4-hexoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The canonical SMILES for (2S)-N-(4-hexoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide is CCCCCCOc1ccc(NC(=O)[C@@H](C)c2ccc3cc(OC)ccc3c2)cc1.
What is the InChIKey of (2S)-N-(4-hexoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
The InChIKey is FZOYDKWSGHGKRD-IBGZPJMESA-N. The full InChI is InChI=1S/C26H31NO3/c1-4-5-6-7-16-30-24-14-11-23(12-15-24)27-26(28)19(2)20-8-9-22-18-25(29-3)13-10-21(22)17-20/h8-15,17-19H,4-7,16H2,1-3H3,(H,27,28)/t19-/m0/s1.
What are the key properties of (2S)-N-(4-hexoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide?
(2S)-N-(4-hexoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide has a molecular weight of 405.54 g/mol, XLogP of 6.55, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-hexoxyphenyl)-2-(6-methoxynaphthalen-2-yl)propanamide is sourced from PubChem (CID 54790083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).