N-[[3-methoxy-4-(7-methyloctoxy)phenyl]methyl]-3-(6-methoxynaphthalen-2-yl)-2-oxobutanamide

C32H41NO5 — CID 46941169

IUPACN-[[3-methoxy-4-(7-methyloctoxy)phenyl]methyl]-3-(6-methoxynaphthalen-2-yl)-2-oxobutanamide
SMILESCOc1ccc2cc(C(C)C(=O)C(=O)NCc3ccc(OCCCCCCC(C)C)c(OC)c3)ccc2c1
InChIInChI=1S/C32H41NO5/c1-22(2)10-8-6-7-9-17-38-29-16-11-24(18-30(29)37-5)21-33-32(35)31(34)23(3)25-12-13-27-20-28(36-4)15-14-26(27)19-25/h11-16,18-20,22-23H,6-10,17,21H2,1-5H3,(H,33,35)
InChIKeyCLTLLNNRERNHOX-UHFFFAOYSA-N
MW519.68 g/mol
LogP6.83
Rot. Bonds15

About N-[[3-methoxy-4-(7-methyloctoxy)phenyl]methyl]-3-(6-methoxynaphthalen-2-yl)-2-oxobutanamide

N-[[3-methoxy-4-(7-methyloctoxy)phenyl]methyl]-3-(6-methoxynaphthalen-2-yl)-2-oxobutanamide (PubChem CID 46941169) has the molecular formula C32H41NO5 and a molecular weight of 519.68 g/mol. Its IUPAC name is N-[[3-methoxy-4-(7-methyloctoxy)phenyl]methyl]-3-(6-methoxynaphthalen-2-yl)-2-oxobutanamide.

Molecular Properties

Compound NameN-[[3-methoxy-4-(7-methyloctoxy)phenyl]methyl]-3-(6-methoxynaphthalen-2-yl)-2-oxobutanamide
PubChem CID46941169
Molecular FormulaC32H41NO5
Molecular Weight519.68 g/mol
Exact Mass519.30
IUPAC NameN-[[3-methoxy-4-(7-methyloctoxy)phenyl]methyl]-3-(6-methoxynaphthalen-2-yl)-2-oxobutanamide
SMILESCOc1ccc2cc(C(C)C(=O)C(=O)NCc3ccc(OCCCCCCC(C)C)c(OC)c3)ccc2c1
InChIInChI=1S/C32H41NO5/c1-22(2)10-8-6-7-9-17-38-29-16-11-24(18-30(29)37-5)21-33-32(35)31(34)23(3)25-12-13-27-20-28(36-4)15-14-26(27)19-25/h11-16,18-20,22-23H,6-10,17,21H2,1-5H3,(H,33,35)
InChIKeyCLTLLNNRERNHOX-UHFFFAOYSA-N
XLogP6.83
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.68
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[3-methoxy-4-(7-methyloctoxy)phenyl]methyl]-3-(6-methoxynaphthalen-2-yl)-2-oxobutanamide with MolForge

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Related Compounds

N-[[3-methoxy-4-(7-methyloctoxy)phenyl]methyl]-3-[4-(2-methylpropyl)phenyl]-2-oxobutanamide
CID 46941170
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 55713345
1-[(3,4-dimethoxyphenyl)methyl]-3-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 41182139
(2S)-N-[2-(3,4-diethoxyphenyl)ethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 9372222
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 26531500
N-[(3,4-dimethoxyphenyl)methyl]-2-naphthalen-2-yloxypropanamide
CID 17070225
(2S)-N-[(3-fluoro-4-methylphenyl)methyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 25316643
N-[(4-butoxy-3-methoxyphenyl)methyl]-2,4-dimethoxybenzamide
CID 39971385
N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-2-phenylacetamide
CID 54776536
N-[(4-butoxy-3-methoxyphenyl)methyl]-2-(2,4-dimethoxyphenyl)acetamide
CID 39971219
1-[(3,4-dimethoxyphenyl)methyl]-3-(4-methylpentyl)urea
CID 38221992
2-amino-N-[(4-butoxy-3-methoxyphenyl)methyl]propanamide;hydrochloride
CID 119284589

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(7-methyloctoxy)phenyl]methyl]-3-(6-methoxynaphthalen-2-yl)-2-oxobutanamide?
The IUPAC name of N-[[3-methoxy-4-(7-methyloctoxy)phenyl]methyl]-3-(6-methoxynaphthalen-2-yl)-2-oxobutanamide (CID 46941169) is N-[[3-methoxy-4-(7-methyloctoxy)phenyl]methyl]-3-(6-methoxynaphthalen-2-yl)-2-oxobutanamide.
What is the SMILES notation for N-[[3-methoxy-4-(7-methyloctoxy)phenyl]methyl]-3-(6-methoxynaphthalen-2-yl)-2-oxobutanamide?
The canonical SMILES for N-[[3-methoxy-4-(7-methyloctoxy)phenyl]methyl]-3-(6-methoxynaphthalen-2-yl)-2-oxobutanamide is COc1ccc2cc(C(C)C(=O)C(=O)NCc3ccc(OCCCCCCC(C)C)c(OC)c3)ccc2c1.
What is the InChIKey of N-[[3-methoxy-4-(7-methyloctoxy)phenyl]methyl]-3-(6-methoxynaphthalen-2-yl)-2-oxobutanamide?
The InChIKey is CLTLLNNRERNHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41NO5/c1-22(2)10-8-6-7-9-17-38-29-16-11-24(18-30(29)37-5)21-33-32(35)31(34)23(3)25-12-13-27-20-28(36-4)15-14-26(27)19-25/h11-16,18-20,22-23H,6-10,17,21H2,1-5H3,(H,33,35).
What are the key properties of N-[[3-methoxy-4-(7-methyloctoxy)phenyl]methyl]-3-(6-methoxynaphthalen-2-yl)-2-oxobutanamide?
N-[[3-methoxy-4-(7-methyloctoxy)phenyl]methyl]-3-(6-methoxynaphthalen-2-yl)-2-oxobutanamide has a molecular weight of 519.68 g/mol, XLogP of 6.83, 15 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(7-methyloctoxy)phenyl]methyl]-3-(6-methoxynaphthalen-2-yl)-2-oxobutanamide is sourced from PubChem (CID 46941169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).