N-(1-aminopropan-2-yl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide

C20H34N2O2 — CID 22104664

IUPACN-(1-aminopropan-2-yl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide
SMILESCOc1c(C(C)(C)C)cc(C(=O)NC(C)CN)c(C)c1C(C)(C)C
InChIInChI=1S/C20H34N2O2/c1-12(11-21)22-18(23)14-10-15(19(3,4)5)17(24-9)16(13(14)2)20(6,7)8/h10,12H,11,21H2,1-9H3,(H,22,23)
InChIKeyVFHXNDZZBNVFTG-UHFFFAOYSA-N
MW334.50 g/mol
LogP3.68
Rot. Bonds4

About N-(1-aminopropan-2-yl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide

N-(1-aminopropan-2-yl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide (PubChem CID 22104664) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide
PubChem CID22104664
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC NameN-(1-aminopropan-2-yl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide
SMILESCOc1c(C(C)(C)C)cc(C(=O)NC(C)CN)c(C)c1C(C)(C)C
InChIInChI=1S/C20H34N2O2/c1-12(11-21)22-18(23)14-10-15(19(3,4)5)17(24-9)16(13(14)2)20(6,7)8/h10,12H,11,21H2,1-9H3,(H,22,23)
InChIKeyVFHXNDZZBNVFTG-UHFFFAOYSA-N
XLogP3.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminoprop-1-enyl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide
CID 173312654
N-[(2S)-1-aminopropan-2-yl]-2,4,5-trimethoxybenzamide
CID 98541747
N-(1-aminopropan-2-yl)-3-tert-butyl-2-hydroxybenzamide
CID 22104724
N-[(2S)-1-aminopropan-2-yl]-4-bromo-2-methylbenzamide;hydrochloride
CID 120507967
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 120507834
N-(1-aminopropan-2-yl)-2-hydroxy-5-methoxybenzamide
CID 63733200
N-(1-aminopropan-2-yl)-2,3-dimethylbenzamide
CID 63731328
N-[(2S)-1-aminopropan-2-yl]-4-methyl-1H-pyrrole-3-carboxamide;hydrochloride
CID 130611242
N-(1-aminopropan-2-yl)-2-(3,5-ditert-butyl-4-hydroxyphenyl)acetamide
CID 22104699
N-[(2S)-1-aminopropan-2-yl]-5-bromo-4-methylthiophene-2-carboxamide;hydrochloride
CID 130662551
N-[(2S)-1-aminopropan-2-yl]-5-ethyl-4-methylthiophene-2-carboxamide
CID 120506339
methyl 5-tert-butyl-2-(4-tert-butyl-2,3-dimethoxy-6-methoxycarbonylphenyl)-3,4-dimethoxybenzoate
CID 15908511

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide (CID 22104664) is N-(1-aminopropan-2-yl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide is COc1c(C(C)(C)C)cc(C(=O)NC(C)CN)c(C)c1C(C)(C)C.
What is the InChIKey of N-(1-aminopropan-2-yl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide?
The InChIKey is VFHXNDZZBNVFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-12(11-21)22-18(23)14-10-15(19(3,4)5)17(24-9)16(13(14)2)20(6,7)8/h10,12H,11,21H2,1-9H3,(H,22,23).
What are the key properties of N-(1-aminopropan-2-yl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide?
N-(1-aminopropan-2-yl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide has a molecular weight of 334.50 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-3,5-ditert-butyl-4-methoxy-2-methylbenzamide is sourced from PubChem (CID 22104664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).