N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-N-naphthalen-2-ylacetamide

C30H25NO3 — CID 18763422

IUPACN-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-N-naphthalen-2-ylacetamide
SMILESCOc1ccc(N(C(C)=O)c2ccc3ccccc3c2)cc1OCc1cccc2ccccc12
InChIInChI=1S/C30H25NO3/c1-21(32)31(26-15-14-22-8-3-4-10-24(22)18-26)27-16-17-29(33-2)30(19-27)34-20-25-12-7-11-23-9-5-6-13-28(23)25/h3-19H,20H2,1-2H3
InChIKeyNHRYZQJIBXOFKF-UHFFFAOYSA-N
MW447.53 g/mol
LogP7.27
Rot. Bonds6

About N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-N-naphthalen-2-ylacetamide

N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-N-naphthalen-2-ylacetamide (PubChem CID 18763422) has the molecular formula C30H25NO3 and a molecular weight of 447.53 g/mol. Its IUPAC name is N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-N-naphthalen-2-ylacetamide
PubChem CID18763422
Molecular FormulaC30H25NO3
Molecular Weight447.53 g/mol
Exact Mass447.18
IUPAC NameN-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-N-naphthalen-2-ylacetamide
SMILESCOc1ccc(N(C(C)=O)c2ccc3ccccc3c2)cc1OCc1cccc2ccccc12
InChIInChI=1S/C30H25NO3/c1-21(32)31(26-15-14-22-8-3-4-10-24(22)18-26)27-16-17-29(33-2)30(19-27)34-20-25-12-7-11-23-9-5-6-13-28(23)25/h3-19H,20H2,1-2H3
InChIKeyNHRYZQJIBXOFKF-UHFFFAOYSA-N
XLogP7.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.53
LogP ≤ 57.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-3-(naphthalen-1-ylmethoxy)benzoic acid
CID 20986648
(E)-3-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]prop-2-enoic acid
CID 42232065
ethyl 4-methoxy-3-(naphthalen-1-ylmethoxy)benzoate
CID 91682838
4-[[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 20989299
naphthalen-1-ylmethyl 3-ethoxy-4-methoxybenzoate
CID 7906497
naphthalen-1-ylmethyl 2,4-dimethoxybenzoate
CID 2504618
5-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-2H-tetrazole
CID 132591862
4-[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylamino]-4-oxobutanoic acid
CID 22680860
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-naphthalen-1-ylacetamide
CID 18111559
3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)benzohydrazide
CID 91683229
2-(2,5-dimethoxyphenyl)-N-(naphthalen-1-ylmethyl)acetamide
CID 78851833
1-[4-methoxy-3-(naphthalen-2-yloxymethyl)phenyl]ethanone
CID 7919546

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-N-naphthalen-2-ylacetamide?
The IUPAC name of N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-N-naphthalen-2-ylacetamide (CID 18763422) is N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-N-naphthalen-2-ylacetamide?
The canonical SMILES for N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-N-naphthalen-2-ylacetamide is COc1ccc(N(C(C)=O)c2ccc3ccccc3c2)cc1OCc1cccc2ccccc12.
What is the InChIKey of N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-N-naphthalen-2-ylacetamide?
The InChIKey is NHRYZQJIBXOFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO3/c1-21(32)31(26-15-14-22-8-3-4-10-24(22)18-26)27-16-17-29(33-2)30(19-27)34-20-25-12-7-11-23-9-5-6-13-28(23)25/h3-19H,20H2,1-2H3.
What are the key properties of N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-N-naphthalen-2-ylacetamide?
N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-N-naphthalen-2-ylacetamide has a molecular weight of 447.53 g/mol, XLogP of 7.27, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(naphthalen-1-ylmethoxy)phenyl]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 18763422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).