N-(1-aminoprop-1-enyl)-3-tert-butyl-4-hydroxy-5-methylbenzamide

C15H22N2O2 — CID 173312575

IUPACN-(1-aminoprop-1-enyl)-3-tert-butyl-4-hydroxy-5-methylbenzamide
SMILESCC=C(N)NC(=O)c1cc(C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H22N2O2/c1-6-12(16)17-14(19)10-7-9(2)13(18)11(8-10)15(3,4)5/h6-8,18H,16H2,1-5H3,(H,17,19)
InChIKeyIUSCMADNZWBWPN-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.55
Rot. Bonds2

About N-(1-aminoprop-1-enyl)-3-tert-butyl-4-hydroxy-5-methylbenzamide

N-(1-aminoprop-1-enyl)-3-tert-butyl-4-hydroxy-5-methylbenzamide (PubChem CID 173312575) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(1-aminoprop-1-enyl)-3-tert-butyl-4-hydroxy-5-methylbenzamide.

Molecular Properties

Compound NameN-(1-aminoprop-1-enyl)-3-tert-butyl-4-hydroxy-5-methylbenzamide
PubChem CID173312575
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(1-aminoprop-1-enyl)-3-tert-butyl-4-hydroxy-5-methylbenzamide
SMILESCC=C(N)NC(=O)c1cc(C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C15H22N2O2/c1-6-12(16)17-14(19)10-7-9(2)13(18)11(8-10)15(3,4)5/h6-8,18H,16H2,1-5H3,(H,17,19)
InChIKeyIUSCMADNZWBWPN-UHFFFAOYSA-N
XLogP2.55
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-4-hydroxy-5-methylbenzamide
CID 139649291
2-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-oxoacetic acid
CID 117344844
3-(3-tert-butyl-4-hydroxy-5-methylphenyl)-2-methyl-3-oxopropanoic acid
CID 175115619
N-(1-aminoprop-1-enyl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide
CID 173312654
hexadecyl 3-tert-butyl-4-hydroxy-5-methylbenzoate
CID 20789149
2-tert-butyl-4,6-dimethylphenol
CID 87814182
2-tert-butyl-4-[(E)-2-(3-tert-butyl-4-hydroxy-5-methylphenyl)ethenyl]-6-methylphenol
CID 22321426
(3-tert-butyl-4-hydroxy-5-methylphenyl)-piperazin-1-ylmethanone
CID 22104766
(3-tert-butyl-4-hydroxy-5-methylphenyl)-thiophen-2-ylmethanone;N-propan-2-ylpropan-2-amine;hydrochloride
CID 88609592
3,5-ditert-butyl-N-[(E)-(3,5-ditert-butyl-4-hydroxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 135437571
1-(3,5-ditert-butyl-4-hydroxyphenyl)ethanone
CID 616296
bis(carbamothioic S-acid);2,6-ditert-butyl-4-methylphenol
CID 88528140

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoprop-1-enyl)-3-tert-butyl-4-hydroxy-5-methylbenzamide?
The IUPAC name of N-(1-aminoprop-1-enyl)-3-tert-butyl-4-hydroxy-5-methylbenzamide (CID 173312575) is N-(1-aminoprop-1-enyl)-3-tert-butyl-4-hydroxy-5-methylbenzamide.
What is the SMILES notation for N-(1-aminoprop-1-enyl)-3-tert-butyl-4-hydroxy-5-methylbenzamide?
The canonical SMILES for N-(1-aminoprop-1-enyl)-3-tert-butyl-4-hydroxy-5-methylbenzamide is CC=C(N)NC(=O)c1cc(C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of N-(1-aminoprop-1-enyl)-3-tert-butyl-4-hydroxy-5-methylbenzamide?
The InChIKey is IUSCMADNZWBWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-6-12(16)17-14(19)10-7-9(2)13(18)11(8-10)15(3,4)5/h6-8,18H,16H2,1-5H3,(H,17,19).
What are the key properties of N-(1-aminoprop-1-enyl)-3-tert-butyl-4-hydroxy-5-methylbenzamide?
N-(1-aminoprop-1-enyl)-3-tert-butyl-4-hydroxy-5-methylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 2.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoprop-1-enyl)-3-tert-butyl-4-hydroxy-5-methylbenzamide is sourced from PubChem (CID 173312575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).