tert-butyl (Z)-2-benzamido-3-naphthalen-2-ylprop-2-enoate

C24H23NO3 — CID 101456831

IUPACtert-butyl (Z)-2-benzamido-3-naphthalen-2-ylprop-2-enoate
SMILESCC(C)(C)OC(=O)/C(=C/c1ccc2ccccc2c1)NC(=O)c1ccccc1
InChIInChI=1S/C24H23NO3/c1-24(2,3)28-23(27)21(25-22(26)19-10-5-4-6-11-19)16-17-13-14-18-9-7-8-12-20(18)15-17/h4-16H,1-3H3,(H,25,26)/b21-16-
InChIKeyLVMBLEPVLRCGRX-PGMHBOJBSA-N
MW373.45 g/mol
LogP4.95
Rot. Bonds4

About tert-butyl (Z)-2-benzamido-3-naphthalen-2-ylprop-2-enoate

tert-butyl (Z)-2-benzamido-3-naphthalen-2-ylprop-2-enoate (PubChem CID 101456831) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is tert-butyl (Z)-2-benzamido-3-naphthalen-2-ylprop-2-enoate.

Molecular Properties

Compound Nametert-butyl (Z)-2-benzamido-3-naphthalen-2-ylprop-2-enoate
PubChem CID101456831
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Nametert-butyl (Z)-2-benzamido-3-naphthalen-2-ylprop-2-enoate
SMILESCC(C)(C)OC(=O)/C(=C/c1ccc2ccccc2c1)NC(=O)c1ccccc1
InChIInChI=1S/C24H23NO3/c1-24(2,3)28-23(27)21(25-22(26)19-10-5-4-6-11-19)16-17-13-14-18-9-7-8-12-20(18)15-17/h4-16H,1-3H3,(H,25,26)/b21-16-
InChIKeyLVMBLEPVLRCGRX-PGMHBOJBSA-N
XLogP4.95
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-[2-[(3,4-dimethoxyphenyl)methylidene]hydrazinyl]-1-naphthalen-2-yl-3-oxoprop-1-en-2-yl]benzamide
CID 146048392
[4-[2-benzamido-3-(naphthalen-2-ylamino)-3-oxoprop-1-enyl]phenyl] acetate
CID 2897403
methyl 2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoate
CID 2933415
N-[(Z)-2-naphthalen-2-ylethenyl]benzamide
CID 177309001
N-[3-(dimethylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 740454
(E)-2-benzamido-3-(4-phenoxyphenyl)prop-2-enoic acid
CID 22148195
tert-butyl (NE)-N-(naphthalen-2-ylmethylidene)carbamate
CID 11858848
3-[[(Z)-2-benzamido-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid
CID 1367341
(E)-2-benzamido-3-[3-(4-methoxyphenoxy)phenyl]prop-2-enoic acid
CID 22148719
N-[(E)-3-anilino-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 1083661
N-[(E)-3-(2-hydroxyethylamino)-1-naphthalen-2-yl-3-oxoprop-1-en-2-yl]-4-(2-methylpropoxy)benzamide
CID 66812430
[(1R,2S,5R)-5-methyl-2-(2-naphthalen-2-ylpropan-2-yl)cyclohexyl] (Z)-2-benzamidobut-2-enoate
CID 10624170

Frequently Asked Questions

What is the IUPAC name of tert-butyl (Z)-2-benzamido-3-naphthalen-2-ylprop-2-enoate?
The IUPAC name of tert-butyl (Z)-2-benzamido-3-naphthalen-2-ylprop-2-enoate (CID 101456831) is tert-butyl (Z)-2-benzamido-3-naphthalen-2-ylprop-2-enoate.
What is the SMILES notation for tert-butyl (Z)-2-benzamido-3-naphthalen-2-ylprop-2-enoate?
The canonical SMILES for tert-butyl (Z)-2-benzamido-3-naphthalen-2-ylprop-2-enoate is CC(C)(C)OC(=O)/C(=C/c1ccc2ccccc2c1)NC(=O)c1ccccc1.
What is the InChIKey of tert-butyl (Z)-2-benzamido-3-naphthalen-2-ylprop-2-enoate?
The InChIKey is LVMBLEPVLRCGRX-PGMHBOJBSA-N. The full InChI is InChI=1S/C24H23NO3/c1-24(2,3)28-23(27)21(25-22(26)19-10-5-4-6-11-19)16-17-13-14-18-9-7-8-12-20(18)15-17/h4-16H,1-3H3,(H,25,26)/b21-16-.
What are the key properties of tert-butyl (Z)-2-benzamido-3-naphthalen-2-ylprop-2-enoate?
tert-butyl (Z)-2-benzamido-3-naphthalen-2-ylprop-2-enoate has a molecular weight of 373.45 g/mol, XLogP of 4.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (Z)-2-benzamido-3-naphthalen-2-ylprop-2-enoate is sourced from PubChem (CID 101456831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).