4-tert-butyl-N-[(Z)-3-(butylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

C24H30N2O2 — CID 2175993

IUPAC4-tert-butyl-N-[(Z)-3-(butylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESCCCCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H30N2O2/c1-5-6-16-25-23(28)21(17-18-10-8-7-9-11-18)26-22(27)19-12-14-20(15-13-19)24(2,3)4/h7-15,17H,5-6,16H2,1-4H3,(H,25,28)(H,26,27)/b21-17-
InChIKeyVAFNCLKSCDUQPN-FXBPSFAMSA-N
MW378.52 g/mol
LogP4.67
Rot. Bonds7

About 4-tert-butyl-N-[(Z)-3-(butylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide

4-tert-butyl-N-[(Z)-3-(butylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide (PubChem CID 2175993) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4-tert-butyl-N-[(Z)-3-(butylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(Z)-3-(butylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
PubChem CID2175993
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name4-tert-butyl-N-[(Z)-3-(butylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide
SMILESCCCCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C24H30N2O2/c1-5-6-16-25-23(28)21(17-18-10-8-7-9-11-18)26-22(27)19-12-14-20(15-13-19)24(2,3)4/h7-15,17H,5-6,16H2,1-4H3,(H,25,28)(H,26,27)/b21-17-
InChIKeyVAFNCLKSCDUQPN-FXBPSFAMSA-N
XLogP4.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(butylamino)-1-(4-hydroxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 3633246
N-[(E)-1-[4-[(E)-2-benzamido-3-(octylamino)-3-oxoprop-1-enyl]phenyl]-3-(octylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 6367639
N-[(Z)-1-(4-bromophenyl)-3-(butylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 2177079
N-[3-(butylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 3094240
N-[1-[4-(dimethylamino)phenyl]-3-(hexylamino)-3-oxoprop-1-en-2-yl]benzamide
CID 3648747
N-[(Z)-3-(butylamino)-1-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-4-iodobenzamide
CID 2177928
6-[(2-benzamido-3-phenylprop-2-enoyl)amino]hexanoic acid
CID 3143045
4-tert-butyl-N-[3-(2-hydroxyethylamino)-1-[4-(hydroxymethyl)phenyl]-3-oxoprop-1-en-2-yl]benzamide
CID 77172820
N-[(Z)-3-(ethylamino)-3-oxo-1-phenylprop-1-en-2-yl]-4-methylbenzamide
CID 2186045
2-[[2-[(4-butoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]acetic acid
CID 2909548
4-[[(Z)-2-[(4-methoxybenzoyl)amino]-3-phenylprop-2-enoyl]amino]butanoate
CID 7381277
1-N,4-N-bis[(E)-1-(4-fluorophenyl)-3-oxo-3-(propylamino)prop-1-en-2-yl]benzene-1,4-dicarboxamide
CID 175665274

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(Z)-3-(butylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[(Z)-3-(butylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide (CID 2175993) is 4-tert-butyl-N-[(Z)-3-(butylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[(Z)-3-(butylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[(Z)-3-(butylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide is CCCCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-tert-butyl-N-[(Z)-3-(butylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
The InChIKey is VAFNCLKSCDUQPN-FXBPSFAMSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-5-6-16-25-23(28)21(17-18-10-8-7-9-11-18)26-22(27)19-12-14-20(15-13-19)24(2,3)4/h7-15,17H,5-6,16H2,1-4H3,(H,25,28)(H,26,27)/b21-17-.
What are the key properties of 4-tert-butyl-N-[(Z)-3-(butylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide?
4-tert-butyl-N-[(Z)-3-(butylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide has a molecular weight of 378.52 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(Z)-3-(butylamino)-3-oxo-1-phenylprop-1-en-2-yl]benzamide is sourced from PubChem (CID 2175993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).