2-naphthalen-1-yl-N-[3-(3-phenylpropoxy)phenyl]acetamide

C27H25NO2 — CID 17133220

IUPAC2-naphthalen-1-yl-N-[3-(3-phenylpropoxy)phenyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1cccc(OCCCc2ccccc2)c1
InChIInChI=1S/C27H25NO2/c29-27(19-23-14-6-13-22-12-4-5-17-26(22)23)28-24-15-7-16-25(20-24)30-18-8-11-21-9-2-1-3-10-21/h1-7,9-10,12-17,20H,8,11,18-19H2,(H,28,29)
InChIKeyBUZYMPVDKYNCOQ-UHFFFAOYSA-N
MW395.50 g/mol
LogP6.03
Rot. Bonds8

About 2-naphthalen-1-yl-N-[3-(3-phenylpropoxy)phenyl]acetamide

2-naphthalen-1-yl-N-[3-(3-phenylpropoxy)phenyl]acetamide (PubChem CID 17133220) has the molecular formula C27H25NO2 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[3-(3-phenylpropoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[3-(3-phenylpropoxy)phenyl]acetamide
PubChem CID17133220
Molecular FormulaC27H25NO2
Molecular Weight395.50 g/mol
Exact Mass395.19
IUPAC Name2-naphthalen-1-yl-N-[3-(3-phenylpropoxy)phenyl]acetamide
SMILESO=C(Cc1cccc2ccccc12)Nc1cccc(OCCCc2ccccc2)c1
InChIInChI=1S/C27H25NO2/c29-27(19-23-14-6-13-22-12-4-5-17-26(22)23)28-24-15-7-16-25(20-24)30-18-8-11-21-9-2-1-3-10-21/h1-7,9-10,12-17,20H,8,11,18-19H2,(H,28,29)
InChIKeyBUZYMPVDKYNCOQ-UHFFFAOYSA-N
XLogP6.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-naphthalen-1-yl-N-(3-prop-2-enoxyphenyl)acetamide
CID 17086689
2-phenylethyl 4-oxo-4-[3-(3-phenylpropoxy)anilino]butanoate
CID 17133245
3-phenylpropyl 5-oxo-5-[3-(3-phenylpropoxy)anilino]pentanoate
CID 17133251
2-methyl-N-[3-[[2-oxo-2-[3-(3-phenylpropoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54831793
ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate
CID 39269822
2-(3-methylanilino)-N-[3-(3-phenylpropoxy)phenyl]acetamide
CID 54810854
1-(3-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea
CID 17133229
4-chloro-N-[3-(2-phenylethoxy)phenyl]butanamide
CID 17161027
methyl 3-oxo-3-[3-(2-phenylethoxy)anilino]propanoate
CID 28638067
2-naphthalen-1-yl-N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]acetamide
CID 46461055
N-(3-hexoxyphenyl)-2-[3-(3-phenylpropoxy)anilino]acetamide
CID 54827901
1-(4-chlorophenyl)-3-[3-(3-phenylpropoxy)phenyl]urea
CID 17133168

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[3-(3-phenylpropoxy)phenyl]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[3-(3-phenylpropoxy)phenyl]acetamide (CID 17133220) is 2-naphthalen-1-yl-N-[3-(3-phenylpropoxy)phenyl]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[3-(3-phenylpropoxy)phenyl]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[3-(3-phenylpropoxy)phenyl]acetamide is O=C(Cc1cccc2ccccc12)Nc1cccc(OCCCc2ccccc2)c1.
What is the InChIKey of 2-naphthalen-1-yl-N-[3-(3-phenylpropoxy)phenyl]acetamide?
The InChIKey is BUZYMPVDKYNCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO2/c29-27(19-23-14-6-13-22-12-4-5-17-26(22)23)28-24-15-7-16-25(20-24)30-18-8-11-21-9-2-1-3-10-21/h1-7,9-10,12-17,20H,8,11,18-19H2,(H,28,29).
What are the key properties of 2-naphthalen-1-yl-N-[3-(3-phenylpropoxy)phenyl]acetamide?
2-naphthalen-1-yl-N-[3-(3-phenylpropoxy)phenyl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 6.03, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[3-(3-phenylpropoxy)phenyl]acetamide is sourced from PubChem (CID 17133220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).