(E)-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-phenylpent-4-enamide

C24H25NO2 — CID 177224278

IUPAC(E)-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-phenylpent-4-enamide
SMILESCOc1ccc2cc([C@H](C)NC(=O)CC/C=C/c3ccccc3)ccc2c1
InChIInChI=1S/C24H25NO2/c1-18(20-12-13-22-17-23(27-2)15-14-21(22)16-20)25-24(26)11-7-6-10-19-8-4-3-5-9-19/h3-6,8-10,12-18H,7,11H2,1-2H3,(H,25,26)/b10-6+/t18-/m0/s1
InChIKeyPLROANCMXIFMRV-OPUMOTSWSA-N
MW359.47 g/mol
LogP5.52
Rot. Bonds7

About (E)-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-phenylpent-4-enamide

(E)-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-phenylpent-4-enamide (PubChem CID 177224278) has the molecular formula C24H25NO2 and a molecular weight of 359.47 g/mol. Its IUPAC name is (E)-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-phenylpent-4-enamide.

Molecular Properties

Compound Name(E)-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-phenylpent-4-enamide
PubChem CID177224278
Molecular FormulaC24H25NO2
Molecular Weight359.47 g/mol
Exact Mass359.19
IUPAC Name(E)-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-phenylpent-4-enamide
SMILESCOc1ccc2cc([C@H](C)NC(=O)CC/C=C/c3ccccc3)ccc2c1
InChIInChI=1S/C24H25NO2/c1-18(20-12-13-22-17-23(27-2)15-14-21(22)16-20)25-24(26)11-7-6-10-19-8-4-3-5-9-19/h3-6,8-10,12-18H,7,11H2,1-2H3,(H,25,26)/b10-6+/t18-/m0/s1
InChIKeyPLROANCMXIFMRV-OPUMOTSWSA-N
XLogP5.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-N-[1-(6-methoxynaphthalen-2-yl)ethyl]pent-3-enamide
CID 56754976
2-(4-methoxyphenyl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 974464
3-methyl-2-[[(E)-5-phenylpent-4-enoyl]amino]butanoic acid
CID 119169932
3-(4-methoxyphenyl)sulfanyl-N-[(1S)-1-phenylethyl]propanamide
CID 34317979
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxyacetamide
CID 94843861
2-(3-methoxyphenoxy)-N-(1-naphthalen-2-ylethyl)acetamide
CID 112779282
N-(1-naphthalen-2-ylethyl)hexanamide
CID 112762295
5-(4-methoxyphenyl)pent-4-enoic acid
CID 54081465
3-(4-methoxyphenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propanamide
CID 42563582
2-(3,5-dimethoxyphenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]acetamide
CID 7714005
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,3-diphenylpropanamide
CID 28572588
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-phenylpent-4-enamide?
The IUPAC name of (E)-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-phenylpent-4-enamide (CID 177224278) is (E)-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-phenylpent-4-enamide.
What is the SMILES notation for (E)-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-phenylpent-4-enamide?
The canonical SMILES for (E)-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-phenylpent-4-enamide is COc1ccc2cc([C@H](C)NC(=O)CC/C=C/c3ccccc3)ccc2c1.
What is the InChIKey of (E)-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-phenylpent-4-enamide?
The InChIKey is PLROANCMXIFMRV-OPUMOTSWSA-N. The full InChI is InChI=1S/C24H25NO2/c1-18(20-12-13-22-17-23(27-2)15-14-21(22)16-20)25-24(26)11-7-6-10-19-8-4-3-5-9-19/h3-6,8-10,12-18H,7,11H2,1-2H3,(H,25,26)/b10-6+/t18-/m0/s1.
What are the key properties of (E)-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-phenylpent-4-enamide?
(E)-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-phenylpent-4-enamide has a molecular weight of 359.47 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S)-1-(6-methoxynaphthalen-2-yl)ethyl]-5-phenylpent-4-enamide is sourced from PubChem (CID 177224278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).