N-(4-methoxyphenyl)naphthalene-1-carboxamide;N-(4-methoxyphenyl)-2-naphthalen-2-ylacetamide

C37H32N2O4 — CID 143592435

IUPACN-(4-methoxyphenyl)naphthalene-1-carboxamide;N-(4-methoxyphenyl)-2-naphthalen-2-ylacetamide
SMILESCOc1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1.COc1ccc(NC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C19H17NO2.C18H15NO2/c1-22-18-10-8-17(9-11-18)20-19(21)13-14-6-7-15-4-2-3-5-16(15)12-14;1-21-15-11-9-14(10-12-15)19-18(20)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,13H2,1H3,(H,20,21);2-12H,1H3,(H,19,20)
InChIKeyCSSMKYOKJDGNPW-UHFFFAOYSA-N
MW568.67 g/mol
LogP8.13
Rot. Bonds7

About N-(4-methoxyphenyl)naphthalene-1-carboxamide;N-(4-methoxyphenyl)-2-naphthalen-2-ylacetamide

N-(4-methoxyphenyl)naphthalene-1-carboxamide;N-(4-methoxyphenyl)-2-naphthalen-2-ylacetamide (PubChem CID 143592435) has the molecular formula C37H32N2O4 and a molecular weight of 568.67 g/mol. Its IUPAC name is N-(4-methoxyphenyl)naphthalene-1-carboxamide;N-(4-methoxyphenyl)-2-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)naphthalene-1-carboxamide;N-(4-methoxyphenyl)-2-naphthalen-2-ylacetamide
PubChem CID143592435
Molecular FormulaC37H32N2O4
Molecular Weight568.67 g/mol
Exact Mass568.24
IUPAC NameN-(4-methoxyphenyl)naphthalene-1-carboxamide;N-(4-methoxyphenyl)-2-naphthalen-2-ylacetamide
SMILESCOc1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1.COc1ccc(NC(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C19H17NO2.C18H15NO2/c1-22-18-10-8-17(9-11-18)20-19(21)13-14-6-7-15-4-2-3-5-16(15)12-14;1-21-15-11-9-14(10-12-15)19-18(20)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,13H2,1H3,(H,20,21);2-12H,1H3,(H,19,20)
InChIKeyCSSMKYOKJDGNPW-UHFFFAOYSA-N
XLogP8.13
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.67
LogP ≤ 58.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-naphthalen-2-ylacetamide
CID 26499620
N-(4-ethoxyphenyl)-2-naphthalen-2-ylacetamide
CID 2992988
N-(4-methylphenyl)-2-naphthalen-2-ylacetamide
CID 9411639
N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-2-naphthalen-2-ylacetamide
CID 49214185
N-[3,5-bis[(2-naphthalen-2-ylacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide
CID 67257199
N-(4-acetylphenyl)-2-naphthalen-2-ylacetamide
CID 16849660
2-[4-[(2-naphthalen-2-ylacetyl)amino]phenyl]acetic acid
CID 6461297
N-[3-[(2-methoxyacetyl)amino]phenyl]-2-naphthalen-2-ylacetamide
CID 46671357
2-naphthalen-2-yl-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 18277342
N-(4-phenylmethoxyphenyl)naphthalene-1-carboxamide
CID 1336313
N-naphthalen-1-yl-2-naphthalen-2-ylacetamide
CID 16849654
5-chloro-N-(4-methoxyphenyl)naphthalene-1-carboxamide
CID 17101907

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)naphthalene-1-carboxamide;N-(4-methoxyphenyl)-2-naphthalen-2-ylacetamide?
The IUPAC name of N-(4-methoxyphenyl)naphthalene-1-carboxamide;N-(4-methoxyphenyl)-2-naphthalen-2-ylacetamide (CID 143592435) is N-(4-methoxyphenyl)naphthalene-1-carboxamide;N-(4-methoxyphenyl)-2-naphthalen-2-ylacetamide.
What is the SMILES notation for N-(4-methoxyphenyl)naphthalene-1-carboxamide;N-(4-methoxyphenyl)-2-naphthalen-2-ylacetamide?
The canonical SMILES for N-(4-methoxyphenyl)naphthalene-1-carboxamide;N-(4-methoxyphenyl)-2-naphthalen-2-ylacetamide is COc1ccc(NC(=O)Cc2ccc3ccccc3c2)cc1.COc1ccc(NC(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)naphthalene-1-carboxamide;N-(4-methoxyphenyl)-2-naphthalen-2-ylacetamide?
The InChIKey is CSSMKYOKJDGNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2.C18H15NO2/c1-22-18-10-8-17(9-11-18)20-19(21)13-14-6-7-15-4-2-3-5-16(15)12-14;1-21-15-11-9-14(10-12-15)19-18(20)17-8-4-6-13-5-2-3-7-16(13)17/h2-12H,13H2,1H3,(H,20,21);2-12H,1H3,(H,19,20).
What are the key properties of N-(4-methoxyphenyl)naphthalene-1-carboxamide;N-(4-methoxyphenyl)-2-naphthalen-2-ylacetamide?
N-(4-methoxyphenyl)naphthalene-1-carboxamide;N-(4-methoxyphenyl)-2-naphthalen-2-ylacetamide has a molecular weight of 568.67 g/mol, XLogP of 8.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)naphthalene-1-carboxamide;N-(4-methoxyphenyl)-2-naphthalen-2-ylacetamide is sourced from PubChem (CID 143592435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).