N-[(5Z)-7-hydroxyocta-5,7-dien-2-yl]-N-(3-phenylpropyl)naphthalene-2-carboxamide

C28H31NO2 — CID 142053395

IUPACN-[(5Z)-7-hydroxyocta-5,7-dien-2-yl]-N-(3-phenylpropyl)naphthalene-2-carboxamide
SMILESC=C(O)/C=C\CCC(C)N(CCCc1ccccc1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C28H31NO2/c1-22(11-6-7-12-23(2)30)29(20-10-15-24-13-4-3-5-14-24)28(31)27-19-18-25-16-8-9-17-26(25)21-27/h3-5,7-9,12-14,16-19,21-22,30H,2,6,10-11,15,20H2,1H3/b12-7-
InChIKeyJHUJGWWYRLZZMR-GHXNOFRVSA-N
MW413.56 g/mol
LogP6.71
Rot. Bonds10

About N-[(5Z)-7-hydroxyocta-5,7-dien-2-yl]-N-(3-phenylpropyl)naphthalene-2-carboxamide

N-[(5Z)-7-hydroxyocta-5,7-dien-2-yl]-N-(3-phenylpropyl)naphthalene-2-carboxamide (PubChem CID 142053395) has the molecular formula C28H31NO2 and a molecular weight of 413.56 g/mol. Its IUPAC name is N-[(5Z)-7-hydroxyocta-5,7-dien-2-yl]-N-(3-phenylpropyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(5Z)-7-hydroxyocta-5,7-dien-2-yl]-N-(3-phenylpropyl)naphthalene-2-carboxamide
PubChem CID142053395
Molecular FormulaC28H31NO2
Molecular Weight413.56 g/mol
Exact Mass413.24
IUPAC NameN-[(5Z)-7-hydroxyocta-5,7-dien-2-yl]-N-(3-phenylpropyl)naphthalene-2-carboxamide
SMILESC=C(O)/C=C\CCC(C)N(CCCc1ccccc1)C(=O)c1ccc2ccccc2c1
InChIInChI=1S/C28H31NO2/c1-22(11-6-7-12-23(2)30)29(20-10-15-24-13-4-3-5-14-24)28(31)27-19-18-25-16-8-9-17-26(25)21-27/h3-5,7-9,12-14,16-19,21-22,30H,2,6,10-11,15,20H2,1H3/b12-7-
InChIKeyJHUJGWWYRLZZMR-GHXNOFRVSA-N
XLogP6.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-N-[1-[ethyl-(2,2,2-trifluoroacetyl)amino]propan-2-yl]naphthalene-2-carboxamide
CID 142975149
N,N-dibutylnaphthalene-2-carboxamide
CID 154151885
N-[5-(diethylamino)pentan-2-yl]-N-[(4-ethoxyphenyl)methyl]naphthalene-2-carboxamide
CID 3573105
(E)-1-naphthalen-2-ylhex-2-en-1-one
CID 22625485
N-butan-2-yl-N-[2-[butyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]naphthalene-2-carboxamide
CID 3579328
N-(2-amino-2-oxoethyl)-N-propan-2-ylnaphthalene-2-carboxamide
CID 4801962
N-benzyl-N-(2-bromoprop-2-enyl)naphthalene-2-carboxamide
CID 101420870
(Z)-2-methyl-7-phenylhept-4-en-3-one
CID 101116591
N-(3-amino-2-methylpropyl)-N-methylnaphthalene-2-carboxamide
CID 54992388
1-methyl-2-N,4-N-bis[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-N,4-N-bis(3-phenylpropyl)pyridin-1-ium-2,4-dicarboxamide iodide
CID 44624845
N-(2-hydroxyethyl)-N-methylnaphthalene-2-carboxamide
CID 39949841
N-[2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide
CID 1059752

Frequently Asked Questions

What is the IUPAC name of N-[(5Z)-7-hydroxyocta-5,7-dien-2-yl]-N-(3-phenylpropyl)naphthalene-2-carboxamide?
The IUPAC name of N-[(5Z)-7-hydroxyocta-5,7-dien-2-yl]-N-(3-phenylpropyl)naphthalene-2-carboxamide (CID 142053395) is N-[(5Z)-7-hydroxyocta-5,7-dien-2-yl]-N-(3-phenylpropyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-[(5Z)-7-hydroxyocta-5,7-dien-2-yl]-N-(3-phenylpropyl)naphthalene-2-carboxamide?
The canonical SMILES for N-[(5Z)-7-hydroxyocta-5,7-dien-2-yl]-N-(3-phenylpropyl)naphthalene-2-carboxamide is C=C(O)/C=C\CCC(C)N(CCCc1ccccc1)C(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-[(5Z)-7-hydroxyocta-5,7-dien-2-yl]-N-(3-phenylpropyl)naphthalene-2-carboxamide?
The InChIKey is JHUJGWWYRLZZMR-GHXNOFRVSA-N. The full InChI is InChI=1S/C28H31NO2/c1-22(11-6-7-12-23(2)30)29(20-10-15-24-13-4-3-5-14-24)28(31)27-19-18-25-16-8-9-17-26(25)21-27/h3-5,7-9,12-14,16-19,21-22,30H,2,6,10-11,15,20H2,1H3/b12-7-.
What are the key properties of N-[(5Z)-7-hydroxyocta-5,7-dien-2-yl]-N-(3-phenylpropyl)naphthalene-2-carboxamide?
N-[(5Z)-7-hydroxyocta-5,7-dien-2-yl]-N-(3-phenylpropyl)naphthalene-2-carboxamide has a molecular weight of 413.56 g/mol, XLogP of 6.71, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z)-7-hydroxyocta-5,7-dien-2-yl]-N-(3-phenylpropyl)naphthalene-2-carboxamide is sourced from PubChem (CID 142053395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).