N-[1-oxo-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide

C26H26N2O2 — CID 4783472

IUPACN-[1-oxo-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NC1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C26H26N2O2/c29-25(21-13-5-2-6-14-21)28-24(18-19-10-3-1-4-11-19)26(30)27-23-17-9-15-20-12-7-8-16-22(20)23/h1-8,10-14,16,23-24H,9,15,17-18H2,(H,27,30)(H,28,29)
InChIKeyQXSKTEUMNPNSBH-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.22
Rot. Bonds6

About N-[1-oxo-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide

N-[1-oxo-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide (PubChem CID 4783472) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-[1-oxo-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-oxo-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide
PubChem CID4783472
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC NameN-[1-oxo-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide
SMILESO=C(NC(Cc1ccccc1)C(=O)NC1CCCc2ccccc21)c1ccccc1
InChIInChI=1S/C26H26N2O2/c29-25(21-13-5-2-6-14-21)28-24(18-19-10-3-1-4-11-19)26(30)27-23-17-9-15-20-12-7-8-16-22(20)23/h1-8,10-14,16,23-24H,9,15,17-18H2,(H,27,30)(H,28,29)
InChIKeyQXSKTEUMNPNSBH-UHFFFAOYSA-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

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Related Compounds

[2-oxo-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]ethyl] (2S)-2-benzamido-3-phenylpropanoate
CID 2390655
(2S)-3-phenyl-2-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoylamino]propanoic acid
CID 944231
N-[(2R)-1-(cyclooctylamino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 30823870
N-[(2R)-4-oxo-4-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]butan-2-yl]benzamide
CID 32745629
3-oxo-N-[(2R)-1-oxo-3-phenyl-1-[[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl]-2,4-dihydroquinoxaline-1-carboxamide
CID 51523469
4-[2-[[3,3-dimethyl-2-[2-(methylamino)propanoylamino]butanoyl]amino]-3-oxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propyl]benzoic acid
CID 123202560
N-[1-[(1-methylpiperidin-4-yl)amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 71902056
bis(1,2,3,4-tetrahydronaphthalen-1-ylamino) (2R)-2-benzamidopentanedioate
CID 88826102
N-[(2R)-1-[[(1R,2R)-2-methylcyclohexyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 126009171
1-benzamido-3-(1,2,3,4-tetrahydronaphthalen-1-yl)urea
CID 47023890
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 28538778
2-methyl-3-(methylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 79196084

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide?
The IUPAC name of N-[1-oxo-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide (CID 4783472) is N-[1-oxo-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide.
What is the SMILES notation for N-[1-oxo-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide?
The canonical SMILES for N-[1-oxo-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide is O=C(NC(Cc1ccccc1)C(=O)NC1CCCc2ccccc21)c1ccccc1.
What is the InChIKey of N-[1-oxo-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide?
The InChIKey is QXSKTEUMNPNSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c29-25(21-13-5-2-6-14-21)28-24(18-19-10-3-1-4-11-19)26(30)27-23-17-9-15-20-12-7-8-16-22(20)23/h1-8,10-14,16,23-24H,9,15,17-18H2,(H,27,30)(H,28,29).
What are the key properties of N-[1-oxo-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide?
N-[1-oxo-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]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-[1-oxo-3-phenyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl]benzamide is sourced from PubChem (CID 4783472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).