3-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-N-naphthalen-2-yl-2-[(E)-2-phenylethenyl]benzamide

C34H30N2O2 — CID 70069464

IUPAC3-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-N-naphthalen-2-yl-2-[(E)-2-phenylethenyl]benzamide
SMILESNc1cccc(C(=O)N(c2ccc3ccccc3c2)C(CO)Cc2ccccc2)c1/C=C/c1ccccc1
InChIInChI=1S/C34H30N2O2/c35-33-17-9-16-32(31(33)21-18-25-10-3-1-4-11-25)34(38)36(30(24-37)22-26-12-5-2-6-13-26)29-20-19-27-14-7-8-15-28(27)23-29/h1-21,23,30,37H,22,24,35H2/b21-18+
InChIKeyAONAAFCMYOLIMH-DYTRJAOYSA-N
MW498.63 g/mol
LogP6.84
Rot. Bonds8

About 3-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-N-naphthalen-2-yl-2-[(E)-2-phenylethenyl]benzamide

3-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-N-naphthalen-2-yl-2-[(E)-2-phenylethenyl]benzamide (PubChem CID 70069464) has the molecular formula C34H30N2O2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 3-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-N-naphthalen-2-yl-2-[(E)-2-phenylethenyl]benzamide.

Molecular Properties

Compound Name3-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-N-naphthalen-2-yl-2-[(E)-2-phenylethenyl]benzamide
PubChem CID70069464
Molecular FormulaC34H30N2O2
Molecular Weight498.63 g/mol
Exact Mass498.23
IUPAC Name3-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-N-naphthalen-2-yl-2-[(E)-2-phenylethenyl]benzamide
SMILESNc1cccc(C(=O)N(c2ccc3ccccc3c2)C(CO)Cc2ccccc2)c1/C=C/c1ccccc1
InChIInChI=1S/C34H30N2O2/c35-33-17-9-16-32(31(33)21-18-25-10-3-1-4-11-25)34(38)36(30(24-37)22-26-12-5-2-6-13-26)29-20-19-27-14-7-8-15-28(27)23-29/h1-21,23,30,37H,22,24,35H2/b21-18+
InChIKeyAONAAFCMYOLIMH-DYTRJAOYSA-N
XLogP6.84
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.63
LogP ≤ 56.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-N-naphthalen-1-ylbenzamide
CID 70072384
(2S)-2-[(2-aminoacetyl)-naphthalen-2-ylamino]-3-phenylpropanamide
CID 131699253
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-[(E)-2-naphthalen-2-ylethenyl]benzamide
CID 20666644
1-(2-phenylethenyl)naphthalen-2-amine
CID 68840486
2-cyano-3-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]buta-1,3-dienyl]phenyl]propanoic acid
CID 123899852
2,3-bis[(E)-2-phenylethenyl]aniline
CID 22251468
3-(2-naphthalen-2-ylethenyl)-N-(1-oxo-3-phenylpropan-2-yl)benzamide
CID 173276331
(2R)-2-amino-3-phenylpropan-1-ol;2-naphthalen-2-yloxynaphthalene
CID 70294493
2-amino-N-[2-(diethylamino)-3-phenylpropyl]benzamide
CID 119946555
3-amino-2-naphthalen-2-ylsulfanylbenzoic acid
CID 115935940
(2S)-2-amino-N-[(2S)-1-(4-chlorophenyl)-3-oxopropan-2-yl]-N-naphthalen-2-ylpropanamide
CID 123701847
1,3-diphenylpropan-2-yl(phenyl)carbamic acid
CID 11051156

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-N-naphthalen-2-yl-2-[(E)-2-phenylethenyl]benzamide?
The IUPAC name of 3-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-N-naphthalen-2-yl-2-[(E)-2-phenylethenyl]benzamide (CID 70069464) is 3-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-N-naphthalen-2-yl-2-[(E)-2-phenylethenyl]benzamide.
What is the SMILES notation for 3-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-N-naphthalen-2-yl-2-[(E)-2-phenylethenyl]benzamide?
The canonical SMILES for 3-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-N-naphthalen-2-yl-2-[(E)-2-phenylethenyl]benzamide is Nc1cccc(C(=O)N(c2ccc3ccccc3c2)C(CO)Cc2ccccc2)c1/C=C/c1ccccc1.
What is the InChIKey of 3-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-N-naphthalen-2-yl-2-[(E)-2-phenylethenyl]benzamide?
The InChIKey is AONAAFCMYOLIMH-DYTRJAOYSA-N. The full InChI is InChI=1S/C34H30N2O2/c35-33-17-9-16-32(31(33)21-18-25-10-3-1-4-11-25)34(38)36(30(24-37)22-26-12-5-2-6-13-26)29-20-19-27-14-7-8-15-28(27)23-29/h1-21,23,30,37H,22,24,35H2/b21-18+.
What are the key properties of 3-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-N-naphthalen-2-yl-2-[(E)-2-phenylethenyl]benzamide?
3-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-N-naphthalen-2-yl-2-[(E)-2-phenylethenyl]benzamide has a molecular weight of 498.63 g/mol, XLogP of 6.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-hydroxy-3-phenylpropan-2-yl)-N-naphthalen-2-yl-2-[(E)-2-phenylethenyl]benzamide is sourced from PubChem (CID 70069464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).