N-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide

C21H24N2O3 — CID 55801583

IUPACN-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C21H24N2O3/c1-2-26-15-7-14-22-21(25)18-10-6-11-19(16-18)23-20(24)13-12-17-8-4-3-5-9-17/h3-6,8-13,16H,2,7,14-15H2,1H3,(H,22,25)(H,23,24)/b13-12+
InChIKeyPJNNFWZSHANNNU-OUKQBFOZSA-N
MW352.43 g/mol
LogP3.49
Rot. Bonds9

About N-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide

N-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide (PubChem CID 55801583) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
PubChem CID55801583
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
SMILESCCOCCCNC(=O)c1cccc(NC(=O)/C=C/c2ccccc2)c1
InChIInChI=1S/C21H24N2O3/c1-2-26-15-7-14-22-21(25)18-10-6-11-19(16-18)23-20(24)13-12-17-8-4-3-5-9-17/h3-6,8-13,16H,2,7,14-15H2,1H3,(H,22,25)(H,23,24)/b13-12+
InChIKeyPJNNFWZSHANNNU-OUKQBFOZSA-N
XLogP3.49
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide
CID 55802011
N-(4-phenylbutyl)-3-(3-phenylprop-2-enoylamino)benzamide
CID 53245425
3-[3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoylamino]-N-(3-ethoxypropyl)benzamide
CID 55801852
N-butyl-3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]benzamide
CID 17197071
3-[(2-aminoacetyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119286252
N-(3-ethoxypropyl)-3-[(3-iodobenzoyl)amino]benzamide
CID 55801744
3-[(4-aminobenzoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717789
N-butyl-3-[[(E)-3-(4-nitrophenyl)prop-2-enoyl]amino]benzamide
CID 17197068
2-benzyl-N-[3-(3-ethoxypropylcarbamoyl)phenyl]benzamide
CID 55801849
3-[(2-amino-2-methylpentanoyl)amino]-N-(3-ethoxypropyl)benzamide
CID 119717821
methyl 3-[[(E)-3-phenylprop-2-enoyl]amino]benzoate
CID 732141
N-(3-ethoxypropyl)-3-[[3-(propan-2-ylcarbamoylamino)benzoyl]amino]benzamide
CID 55968925

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The IUPAC name of N-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide (CID 55801583) is N-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide.
What is the SMILES notation for N-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The canonical SMILES for N-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide is CCOCCCNC(=O)c1cccc(NC(=O)/C=C/c2ccccc2)c1.
What is the InChIKey of N-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
The InChIKey is PJNNFWZSHANNNU-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-2-26-15-7-14-22-21(25)18-10-6-11-19(16-18)23-20(24)13-12-17-8-4-3-5-9-17/h3-6,8-13,16H,2,7,14-15H2,1H3,(H,22,25)(H,23,24)/b13-12+.
What are the key properties of N-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide?
N-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzamide is sourced from PubChem (CID 55801583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).