N-[3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]pentanamide

C23H28N2O2 — CID 6119425

IUPACN-[3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C23H28N2O2/c1-4-5-9-22(26)24-20-7-6-8-21(16-20)25-23(27)15-12-18-10-13-19(14-11-18)17(2)3/h6-8,10-17H,4-5,9H2,1-3H3,(H,24,26)(H,25,27)/b15-12+
InChIKeyKCGBMYJTYXBPNG-NTCAYCPXSA-N
MW364.49 g/mol
LogP5.59
Rot. Bonds8

About N-[3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]pentanamide

N-[3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]pentanamide (PubChem CID 6119425) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]pentanamide.

Molecular Properties

Compound NameN-[3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]pentanamide
PubChem CID6119425
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]pentanamide
SMILESCCCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c1
InChIInChI=1S/C23H28N2O2/c1-4-5-9-22(26)24-20-7-6-8-21(16-20)25-23(27)15-12-18-10-13-19(14-11-18)17(2)3/h6-8,10-17H,4-5,9H2,1-3H3,(H,24,26)(H,25,27)/b15-12+
InChIKeyKCGBMYJTYXBPNG-NTCAYCPXSA-N
XLogP5.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]phenyl]hexanamide
CID 26161245
(E)-N-(3-ethylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6161453
N-[3-(hexanoylamino)phenyl]-4-propan-2-ylbenzamide
CID 26161397
(E)-N-(3-fluorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 785785
N-[3-[[(E)-3-(4-methylphenyl)prop-2-enoyl]carbamothioylamino]phenyl]hexanamide
CID 26161868
(E)-N-[3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]-3-phenylprop-2-enamide
CID 18901896
N-octyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 4115175
(Z)-N-(4-butan-2-ylphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 22305599
2-ethoxyethyl 3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]benzoate
CID 19172042
(E)-N-(4-aminophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 28854457
N-(4-chlorophenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 763457
(E)-3-(4-hydroxyphenyl)-N-(4-propan-2-ylphenyl)prop-2-enamide
CID 84552409

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]pentanamide?
The IUPAC name of N-[3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]pentanamide (CID 6119425) is N-[3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]pentanamide.
What is the SMILES notation for N-[3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]pentanamide?
The canonical SMILES for N-[3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]pentanamide is CCCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(C(C)C)cc2)c1.
What is the InChIKey of N-[3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]pentanamide?
The InChIKey is KCGBMYJTYXBPNG-NTCAYCPXSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-4-5-9-22(26)24-20-7-6-8-21(16-20)25-23(27)15-12-18-10-13-19(14-11-18)17(2)3/h6-8,10-17H,4-5,9H2,1-3H3,(H,24,26)(H,25,27)/b15-12+.
What are the key properties of N-[3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]pentanamide?
N-[3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]pentanamide has a molecular weight of 364.49 g/mol, XLogP of 5.59, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(E)-3-(4-propan-2-ylphenyl)prop-2-enoyl]amino]phenyl]pentanamide is sourced from PubChem (CID 6119425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).