N-[3-(4-hydroxyphenyl)-1-oxo-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide

C26H26N2O3 — CID 118296432

IUPACN-[3-(4-hydroxyphenyl)-1-oxo-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide
SMILESO=C(NC(Cc1ccc(O)cc1)C(=O)Nc1cccc2c1CCCC2)c1ccccc1
InChIInChI=1S/C26H26N2O3/c29-21-15-13-18(14-16-21)17-24(28-25(30)20-8-2-1-3-9-20)26(31)27-23-12-6-10-19-7-4-5-11-22(19)23/h1-3,6,8-10,12-16,24,29H,4-5,7,11,17H2,(H,27,31)(H,28,30)
InChIKeyYQYAEFZKRFJKMV-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.25
Rot. Bonds6

About N-[3-(4-hydroxyphenyl)-1-oxo-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide

N-[3-(4-hydroxyphenyl)-1-oxo-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide (PubChem CID 118296432) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[3-(4-hydroxyphenyl)-1-oxo-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-(4-hydroxyphenyl)-1-oxo-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide
PubChem CID118296432
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-[3-(4-hydroxyphenyl)-1-oxo-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide
SMILESO=C(NC(Cc1ccc(O)cc1)C(=O)Nc1cccc2c1CCCC2)c1ccccc1
InChIInChI=1S/C26H26N2O3/c29-21-15-13-18(14-16-21)17-24(28-25(30)20-8-2-1-3-9-20)26(31)27-23-12-6-10-19-7-4-5-11-22(19)23/h1-3,6,8-10,12-16,24,29H,4-5,7,11,17H2,(H,27,31)(H,28,30)
InChIKeyYQYAEFZKRFJKMV-UHFFFAOYSA-N
XLogP4.25
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-4-yl)formamide;N-[1-(4-hydroxyphenyl)propan-2-yl]benzamide
CID 144901040
(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoic acid
CID 784806
2-(4-hydroxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 78838548
4-[[2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoate
CID 4173129
4-[[(2R)-2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoate
CID 86295165
N-[1-(2-benzylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 3872811
sodium 4-[[(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoyl]amino]benzoate
CID 23680486
2-benzamido-3-(4-hydroxyphenyl)propanoate
CID 53456337
N-[3-(3,4-dihydroxyphenyl)-1-(2-methylanilino)-1-oxopropan-2-yl]benzamide
CID 118296421
N-[1-(cyanomethylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide
CID 87926791
N-[1-(5-fluoro-2-piperazin-1-ylanilino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]benzamide
CID 118296484
N-[1-[2-(fluoromethoxy)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 118296459

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-hydroxyphenyl)-1-oxo-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide?
The IUPAC name of N-[3-(4-hydroxyphenyl)-1-oxo-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide (CID 118296432) is N-[3-(4-hydroxyphenyl)-1-oxo-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide.
What is the SMILES notation for N-[3-(4-hydroxyphenyl)-1-oxo-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide?
The canonical SMILES for N-[3-(4-hydroxyphenyl)-1-oxo-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide is O=C(NC(Cc1ccc(O)cc1)C(=O)Nc1cccc2c1CCCC2)c1ccccc1.
What is the InChIKey of N-[3-(4-hydroxyphenyl)-1-oxo-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide?
The InChIKey is YQYAEFZKRFJKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c29-21-15-13-18(14-16-21)17-24(28-25(30)20-8-2-1-3-9-20)26(31)27-23-12-6-10-19-7-4-5-11-22(19)23/h1-3,6,8-10,12-16,24,29H,4-5,7,11,17H2,(H,27,31)(H,28,30).
What are the key properties of N-[3-(4-hydroxyphenyl)-1-oxo-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide?
N-[3-(4-hydroxyphenyl)-1-oxo-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide has a molecular weight of 414.51 g/mol, XLogP of 4.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-hydroxyphenyl)-1-oxo-1-(5,6,7,8-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide is sourced from PubChem (CID 118296432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).