N-[(1S)-3-oxo-1-phenyl-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propyl]benzamide

C26H26N2O2 — CID 95271231

IUPACN-[(1S)-3-oxo-1-phenyl-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propyl]benzamide
SMILESO=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N[C@H]1CCc2ccccc2C1
InChIInChI=1S/C26H26N2O2/c29-25(27-23-16-15-19-9-7-8-14-22(19)17-23)18-24(20-10-3-1-4-11-20)28-26(30)21-12-5-2-6-13-21/h1-14,23-24H,15-18H2,(H,27,29)(H,28,30)/t23-,24-/m0/s1
InChIKeyWHSFQVJXDNTKFV-ZEQRLZLVSA-N
MW398.51 g/mol
LogP4.22
Rot. Bonds6

About N-[(1S)-3-oxo-1-phenyl-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propyl]benzamide

N-[(1S)-3-oxo-1-phenyl-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propyl]benzamide (PubChem CID 95271231) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[(1S)-3-oxo-1-phenyl-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-3-oxo-1-phenyl-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propyl]benzamide
PubChem CID95271231
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC NameN-[(1S)-3-oxo-1-phenyl-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propyl]benzamide
SMILESO=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N[C@H]1CCc2ccccc2C1
InChIInChI=1S/C26H26N2O2/c29-25(27-23-16-15-19-9-7-8-14-22(19)17-23)18-24(20-10-3-1-4-11-20)28-26(30)21-12-5-2-6-13-21/h1-14,23-24H,15-18H2,(H,27,29)(H,28,30)/t23-,24-/m0/s1
InChIKeyWHSFQVJXDNTKFV-ZEQRLZLVSA-N
XLogP4.22
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-3-oxo-1-phenyl-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propyl]benzamide with MolForge

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Related Compounds

N-[(1R)-3-(cycloheptylamino)-3-oxo-1-phenylpropyl]benzamide
CID 2547647
3-amino-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide;hydrochloride
CID 119948996
(3S)-3-benzamido-3-phenylpropanoic acid
CID 788098
3-benzamido-3-phenylpropanoic acid
CID 2834576
N-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 68917081
N-[3-[(2,3-dimethylcyclohexyl)amino]-3-oxo-1-phenylpropyl]benzamide
CID 56827734
N-[(1R)-3-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 124732495
N-[3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 55518864
2-[(3-benzamido-3-phenylpropanoyl)amino]-2-cyclopropylacetic acid
CID 119213741
2-chloro-N-(1,2,3,4-tetrahydronaphthalen-2-yl)acetamide
CID 11775776
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607
N-[3-(8-azabicyclo[3.2.1]octan-3-ylamino)-3-oxo-1-phenylpropyl]-4-methylbenzamide;hydrochloride
CID 119459009

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-3-oxo-1-phenyl-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propyl]benzamide?
The IUPAC name of N-[(1S)-3-oxo-1-phenyl-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propyl]benzamide (CID 95271231) is N-[(1S)-3-oxo-1-phenyl-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propyl]benzamide.
What is the SMILES notation for N-[(1S)-3-oxo-1-phenyl-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propyl]benzamide?
The canonical SMILES for N-[(1S)-3-oxo-1-phenyl-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propyl]benzamide is O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)N[C@H]1CCc2ccccc2C1.
What is the InChIKey of N-[(1S)-3-oxo-1-phenyl-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propyl]benzamide?
The InChIKey is WHSFQVJXDNTKFV-ZEQRLZLVSA-N. The full InChI is InChI=1S/C26H26N2O2/c29-25(27-23-16-15-19-9-7-8-14-22(19)17-23)18-24(20-10-3-1-4-11-20)28-26(30)21-12-5-2-6-13-21/h1-14,23-24H,15-18H2,(H,27,29)(H,28,30)/t23-,24-/m0/s1.
What are the key properties of N-[(1S)-3-oxo-1-phenyl-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propyl]benzamide?
N-[(1S)-3-oxo-1-phenyl-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propyl]benzamide has a molecular weight of 398.51 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-3-oxo-1-phenyl-3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propyl]benzamide is sourced from PubChem (CID 95271231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).