N-[2-[3-[(2-methoxy-5-methylphenyl)carbamoyl]naphthalen-2-yl]oxyacetyl]-1-methylpyrrole-2-carboxamide

C27H25N3O5 — CID 30834047

IUPACN-[2-[3-[(2-methoxy-5-methylphenyl)carbamoyl]naphthalen-2-yl]oxyacetyl]-1-methylpyrrole-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCC(=O)NC(=O)c1cccn1C
InChIInChI=1S/C27H25N3O5/c1-17-10-11-23(34-3)21(13-17)28-26(32)20-14-18-7-4-5-8-19(18)15-24(20)35-16-25(31)29-27(33)22-9-6-12-30(22)2/h4-15H,16H2,1-3H3,(H,28,32)(H,29,31,33)
InChIKeyCBGXYCMOSVUJFQ-UHFFFAOYSA-N
MW471.51 g/mol
LogP4.08
Rot. Bonds7

About N-[2-[3-[(2-methoxy-5-methylphenyl)carbamoyl]naphthalen-2-yl]oxyacetyl]-1-methylpyrrole-2-carboxamide

N-[2-[3-[(2-methoxy-5-methylphenyl)carbamoyl]naphthalen-2-yl]oxyacetyl]-1-methylpyrrole-2-carboxamide (PubChem CID 30834047) has the molecular formula C27H25N3O5 and a molecular weight of 471.51 g/mol. Its IUPAC name is N-[2-[3-[(2-methoxy-5-methylphenyl)carbamoyl]naphthalen-2-yl]oxyacetyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[(2-methoxy-5-methylphenyl)carbamoyl]naphthalen-2-yl]oxyacetyl]-1-methylpyrrole-2-carboxamide
PubChem CID30834047
Molecular FormulaC27H25N3O5
Molecular Weight471.51 g/mol
Exact Mass471.18
IUPAC NameN-[2-[3-[(2-methoxy-5-methylphenyl)carbamoyl]naphthalen-2-yl]oxyacetyl]-1-methylpyrrole-2-carboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCC(=O)NC(=O)c1cccn1C
InChIInChI=1S/C27H25N3O5/c1-17-10-11-23(34-3)21(13-17)28-26(32)20-14-18-7-4-5-8-19(18)15-24(20)35-16-25(31)29-27(33)22-9-6-12-30(22)2/h4-15H,16H2,1-3H3,(H,28,32)(H,29,31,33)
InChIKeyCBGXYCMOSVUJFQ-UHFFFAOYSA-N
XLogP4.08
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(2-chloroanilino)-2-oxoethoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide
CID 2377871
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2-methoxy-5-methylphenyl)naphthalene-2-carboxamide
CID 9098428
3-[2-(2,3-dimethylanilino)-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 26217134
2-(2-amino-2-oxoethoxy)-N-(2-methoxy-5-methylphenyl)benzamide
CID 9453585
[2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 2-(2-methoxyphenoxy)acetate
CID 7854029
1-(2-methoxy-5-methylphenyl)-3-[(2-naphthalen-2-yloxyacetyl)amino]urea
CID 25237331
N'-[2-(2,5-dimethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide
CID 9393736
N-(2-methoxy-5-methylphenyl)-1-methylindole-3-carboxamide
CID 9208634
3-[2-(tert-butylamino)-2-oxoethoxy]-N-(4-chloro-2,5-dimethoxyphenyl)naphthalene-2-carboxamide
CID 1043828
3-[2-[(3-chlorophenyl)methylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 112788524
3-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethoxy]-N-(2-methoxyphenyl)naphthalene-2-carboxamide
CID 32512845
4-methoxy-N-(2-methoxy-5-methylphenyl)benzamide
CID 2302629

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(2-methoxy-5-methylphenyl)carbamoyl]naphthalen-2-yl]oxyacetyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[2-[3-[(2-methoxy-5-methylphenyl)carbamoyl]naphthalen-2-yl]oxyacetyl]-1-methylpyrrole-2-carboxamide (CID 30834047) is N-[2-[3-[(2-methoxy-5-methylphenyl)carbamoyl]naphthalen-2-yl]oxyacetyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[2-[3-[(2-methoxy-5-methylphenyl)carbamoyl]naphthalen-2-yl]oxyacetyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[2-[3-[(2-methoxy-5-methylphenyl)carbamoyl]naphthalen-2-yl]oxyacetyl]-1-methylpyrrole-2-carboxamide is COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OCC(=O)NC(=O)c1cccn1C.
What is the InChIKey of N-[2-[3-[(2-methoxy-5-methylphenyl)carbamoyl]naphthalen-2-yl]oxyacetyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is CBGXYCMOSVUJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O5/c1-17-10-11-23(34-3)21(13-17)28-26(32)20-14-18-7-4-5-8-19(18)15-24(20)35-16-25(31)29-27(33)22-9-6-12-30(22)2/h4-15H,16H2,1-3H3,(H,28,32)(H,29,31,33).
What are the key properties of N-[2-[3-[(2-methoxy-5-methylphenyl)carbamoyl]naphthalen-2-yl]oxyacetyl]-1-methylpyrrole-2-carboxamide?
N-[2-[3-[(2-methoxy-5-methylphenyl)carbamoyl]naphthalen-2-yl]oxyacetyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 471.51 g/mol, XLogP of 4.08, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(2-methoxy-5-methylphenyl)carbamoyl]naphthalen-2-yl]oxyacetyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 30834047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).