N-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-N-[(2S)-1-(3,5-dimethoxyphenyl)propan-2-yl]acetamide

C26H31NO5 — CID 45258852

IUPACN-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-N-[(2S)-1-(3,5-dimethoxyphenyl)propan-2-yl]acetamide
SMILESCOc1cc(C[C@H](C)N(C(C)=O)c2ccc(OC)c3c(OC)cc(C)cc23)cc(OC)c1
InChIInChI=1S/C26H31NO5/c1-16-10-22-23(8-9-24(31-6)26(22)25(11-16)32-7)27(18(3)28)17(2)12-19-13-20(29-4)15-21(14-19)30-5/h8-11,13-15,17H,12H2,1-7H3/t17-/m0/s1
InChIKeyPUKDXQRZNPBMHY-KRWDZBQOSA-N
MW437.54 g/mol
LogP5.17
Rot. Bonds8

About N-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-N-[(2S)-1-(3,5-dimethoxyphenyl)propan-2-yl]acetamide

N-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-N-[(2S)-1-(3,5-dimethoxyphenyl)propan-2-yl]acetamide (PubChem CID 45258852) has the molecular formula C26H31NO5 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-N-[(2S)-1-(3,5-dimethoxyphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound NameN-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-N-[(2S)-1-(3,5-dimethoxyphenyl)propan-2-yl]acetamide
PubChem CID45258852
Molecular FormulaC26H31NO5
Molecular Weight437.54 g/mol
Exact Mass437.22
IUPAC NameN-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-N-[(2S)-1-(3,5-dimethoxyphenyl)propan-2-yl]acetamide
SMILESCOc1cc(C[C@H](C)N(C(C)=O)c2ccc(OC)c3c(OC)cc(C)cc23)cc(OC)c1
InChIInChI=1S/C26H31NO5/c1-16-10-22-23(8-9-24(31-6)26(22)25(11-16)32-7)27(18(3)28)17(2)12-19-13-20(29-4)15-21(14-19)30-5/h8-11,13-15,17H,12H2,1-7H3/t17-/m0/s1
InChIKeyPUKDXQRZNPBMHY-KRWDZBQOSA-N
XLogP5.17
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.54
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-N-[(2S)-1-(3,5-dimethoxyphenyl)propan-2-yl]acetamide with MolForge

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Related Compounds

(2S)-1-[2-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-3,5-dimethoxyphenyl]propan-2-ol
CID 10927384
N-[(2R)-1-[3,5-dimethoxy-2-(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)phenyl]propan-2-yl]acetamide
CID 11730950
2,2,3,3,3-pentafluoro-N-[1-(3-methoxy-5-methylphenyl)propan-2-yl]-N-methylpropanamide
CID 91733394
(5-methoxy-7-methyl-4-phenylmethoxynaphthalen-1-yl)boronic acid
CID 11088545
(2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride
CID 71742199
1-(3,5-dimethoxyphenyl)-4-hydroxypentan-2-one
CID 24972545
9,10-dibutoxy-1,3,8-trimethoxy-6-methylanthracene
CID 58825789
2-(3,5-dimethylphenyl)-1-(2-methoxy-4,6-dimethylphenyl)ethanol
CID 106680174
1-(4-methoxy-3-methylphenyl)-2-(3-methoxyphenyl)ethanol
CID 61080511
ethyl (E)-3-(2,5-dimethoxyphenyl)-2-methylprop-2-enoate
CID 10955965
diethyl 2-methylpropanedioate;1,3,5-trimethoxybenzene
CID 174557224
N-(2-methoxy-5-nitrophenyl)-N-propan-2-ylacetamide
CID 59092898

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-N-[(2S)-1-(3,5-dimethoxyphenyl)propan-2-yl]acetamide?
The IUPAC name of N-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-N-[(2S)-1-(3,5-dimethoxyphenyl)propan-2-yl]acetamide (CID 45258852) is N-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-N-[(2S)-1-(3,5-dimethoxyphenyl)propan-2-yl]acetamide.
What is the SMILES notation for N-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-N-[(2S)-1-(3,5-dimethoxyphenyl)propan-2-yl]acetamide?
The canonical SMILES for N-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-N-[(2S)-1-(3,5-dimethoxyphenyl)propan-2-yl]acetamide is COc1cc(C[C@H](C)N(C(C)=O)c2ccc(OC)c3c(OC)cc(C)cc23)cc(OC)c1.
What is the InChIKey of N-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-N-[(2S)-1-(3,5-dimethoxyphenyl)propan-2-yl]acetamide?
The InChIKey is PUKDXQRZNPBMHY-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H31NO5/c1-16-10-22-23(8-9-24(31-6)26(22)25(11-16)32-7)27(18(3)28)17(2)12-19-13-20(29-4)15-21(14-19)30-5/h8-11,13-15,17H,12H2,1-7H3/t17-/m0/s1.
What are the key properties of N-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-N-[(2S)-1-(3,5-dimethoxyphenyl)propan-2-yl]acetamide?
N-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-N-[(2S)-1-(3,5-dimethoxyphenyl)propan-2-yl]acetamide has a molecular weight of 437.54 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethoxy-7-methylnaphthalen-1-yl)-N-[(2S)-1-(3,5-dimethoxyphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 45258852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).