N-[3-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]-2,2-dimethylpropanamide

C25H28N2O3 — CID 54790136

IUPACN-[3-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)Nc3cccc(NC(=O)C(C)(C)C)c3)ccc2c1
InChIInChI=1S/C25H28N2O3/c1-16(17-9-10-19-14-22(30-5)12-11-18(19)13-17)23(28)26-20-7-6-8-21(15-20)27-24(29)25(2,3)4/h6-16H,1-5H3,(H,26,28)(H,27,29)/t16-/m0/s1
InChIKeyQVCJPXPIGCEFCV-INIZCTEOSA-N
MW404.51 g/mol
LogP5.58
Rot. Bonds5

About N-[3-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]-2,2-dimethylpropanamide

N-[3-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]-2,2-dimethylpropanamide (PubChem CID 54790136) has the molecular formula C25H28N2O3 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[3-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]-2,2-dimethylpropanamide
PubChem CID54790136
Molecular FormulaC25H28N2O3
Molecular Weight404.51 g/mol
Exact Mass404.21
IUPAC NameN-[3-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]-2,2-dimethylpropanamide
SMILESCOc1ccc2cc([C@H](C)C(=O)Nc3cccc(NC(=O)C(C)(C)C)c3)ccc2c1
InChIInChI=1S/C25H28N2O3/c1-16(17-9-10-19-14-22(30-5)12-11-18(19)13-17)23(28)26-20-7-6-8-21(15-20)27-24(29)25(2,3)4/h6-16H,1-5H3,(H,26,28)(H,27,29)/t16-/m0/s1
InChIKeyQVCJPXPIGCEFCV-INIZCTEOSA-N
XLogP5.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]-2,2-dimethylpropanamide with MolForge

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Related Compounds

(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-methylphenyl)propanamide
CID 9038954
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-phenylmethoxyphenyl)propanamide
CID 54789941
(2S)-N-[3-[(2-methoxyacetyl)amino]phenyl]-2-(4-methoxyphenyl)propanamide
CID 95616058
N-[4-(difluoromethoxy)phenyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 55363194
(2S)-N-hydroxy-2-(6-methoxynaphthalen-2-yl)propanamide
CID 92850098
(2S)-N-(4-cyanophenyl)-2-(6-methoxynaphthalen-2-yl)propanamide
CID 26689476
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 8952069
ethyl-di(propan-2-yl)azanium;3-[2-(6-methoxynaphthalen-2-yl)propanoylamino]benzenesulfonate
CID 155294994
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17296413
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(3-morpholin-4-ylsulfonylphenyl)propanamide
CID 55937981
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(4-prop-2-enoxyphenyl)propanamide
CID 54790188
(2S)-2-(6-methoxynaphthalen-2-yl)-N-(2-methylbutan-2-yl)propanamide
CID 54790218

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]-2,2-dimethylpropanamide (CID 54790136) is N-[3-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]-2,2-dimethylpropanamide is COc1ccc2cc([C@H](C)C(=O)Nc3cccc(NC(=O)C(C)(C)C)c3)ccc2c1.
What is the InChIKey of N-[3-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]-2,2-dimethylpropanamide?
The InChIKey is QVCJPXPIGCEFCV-INIZCTEOSA-N. The full InChI is InChI=1S/C25H28N2O3/c1-16(17-9-10-19-14-22(30-5)12-11-18(19)13-17)23(28)26-20-7-6-8-21(15-20)27-24(29)25(2,3)4/h6-16H,1-5H3,(H,26,28)(H,27,29)/t16-/m0/s1.
What are the key properties of N-[3-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]-2,2-dimethylpropanamide?
N-[3-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]-2,2-dimethylpropanamide has a molecular weight of 404.51 g/mol, XLogP of 5.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]amino]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 54790136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).