N-(1-aminoprop-1-enyl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide

C20H32N2O2 — CID 173312654

IUPACN-(1-aminoprop-1-enyl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide
SMILESCC=C(N)NC(=O)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1C
InChIInChI=1S/C20H32N2O2/c1-10-15(21)22-18(23)13-11-14(19(3,4)5)17(24-9)16(12(13)2)20(6,7)8/h10-11H,21H2,1-9H3,(H,22,23)
InChIKeyPQVKVXSCDYYFQR-UHFFFAOYSA-N
MW332.49 g/mol
LogP4.15
Rot. Bonds3

About N-(1-aminoprop-1-enyl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide

N-(1-aminoprop-1-enyl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide (PubChem CID 173312654) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is N-(1-aminoprop-1-enyl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-aminoprop-1-enyl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide
PubChem CID173312654
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC NameN-(1-aminoprop-1-enyl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide
SMILESCC=C(N)NC(=O)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1C
InChIInChI=1S/C20H32N2O2/c1-10-15(21)22-18(23)13-11-14(19(3,4)5)17(24-9)16(12(13)2)20(6,7)8/h10-11H,21H2,1-9H3,(H,22,23)
InChIKeyPQVKVXSCDYYFQR-UHFFFAOYSA-N
XLogP4.15
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide
CID 22104664
N-(1-aminoprop-1-enyl)-3-tert-butyl-4-hydroxy-5-methylbenzamide
CID 173312575
methyl 5-tert-butyl-2-(4-tert-butyl-2,3-dimethoxy-6-methoxycarbonylphenyl)-3,4-dimethoxybenzoate
CID 15908511
methyl (Z)-4-(3-tert-butyl-2-methoxy-5-methylphenyl)-4-hydroxy-2-oxobut-3-enoate
CID 82551650
1-(3-tert-butyl-2-methoxy-5-methylphenyl)-2-hydroxyethanone
CID 82291654
2-bromo-1-(3-tert-butyl-2-methoxy-5-methylphenyl)ethanone
CID 82490218
methyl 3-tert-butyl-5-iodo-2-methoxy-6-methylbenzoate
CID 87622836
3-tert-butyl-N-[2-(dimethylamino)ethyl]-2-methoxy-5-methylbenzamide
CID 110763107
dimethyl 2,5-ditert-butylbenzene-1,4-dicarboxylate
CID 11833728
1-(3-tert-butyl-2-methoxy-5-methylphenyl)-3-chloropropan-1-one
CID 82267890
1-tert-butyl-2,3-dimethoxy-4,5-dimethylbenzene
CID 173207102
3-amino-5-tert-butyl-2-methoxy-N-methylbenzamide
CID 23505820

Frequently Asked Questions

What is the IUPAC name of N-(1-aminoprop-1-enyl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide?
The IUPAC name of N-(1-aminoprop-1-enyl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide (CID 173312654) is N-(1-aminoprop-1-enyl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide.
What is the SMILES notation for N-(1-aminoprop-1-enyl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide?
The canonical SMILES for N-(1-aminoprop-1-enyl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide is CC=C(N)NC(=O)c1cc(C(C)(C)C)c(OC)c(C(C)(C)C)c1C.
What is the InChIKey of N-(1-aminoprop-1-enyl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide?
The InChIKey is PQVKVXSCDYYFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2/c1-10-15(21)22-18(23)13-11-14(19(3,4)5)17(24-9)16(12(13)2)20(6,7)8/h10-11H,21H2,1-9H3,(H,22,23).
What are the key properties of N-(1-aminoprop-1-enyl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide?
N-(1-aminoprop-1-enyl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide has a molecular weight of 332.49 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminoprop-1-enyl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide is sourced from PubChem (CID 173312654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).