N-(1-aminobutan-2-yl)-2-methoxybenzamide

C12H18N2O2 — CID 63753352

IUPACN-(1-aminobutan-2-yl)-2-methoxybenzamide
SMILESCCC(CN)NC(=O)c1ccccc1OC
InChIInChI=1S/C12H18N2O2/c1-3-9(8-13)14-12(15)10-6-4-5-7-11(10)16-2/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)
InChIKeyZLMCIPQADUHXKX-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.16
Rot. Bonds5

About N-(1-aminobutan-2-yl)-2-methoxybenzamide

N-(1-aminobutan-2-yl)-2-methoxybenzamide (PubChem CID 63753352) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(1-aminobutan-2-yl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(1-aminobutan-2-yl)-2-methoxybenzamide
PubChem CID63753352
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC NameN-(1-aminobutan-2-yl)-2-methoxybenzamide
SMILESCCC(CN)NC(=O)c1ccccc1OC
InChIInChI=1S/C12H18N2O2/c1-3-9(8-13)14-12(15)10-6-4-5-7-11(10)16-2/h4-7,9H,3,8,13H2,1-2H3,(H,14,15)
InChIKeyZLMCIPQADUHXKX-UHFFFAOYSA-N
XLogP1.16
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminobutan-2-yl)-2,4-dimethoxybenzamide
CID 63755359
N-butan-2-yl-2-methoxybenzamide
CID 3117660
N-(1-aminobutan-2-yl)-2-chlorobenzamide
CID 65193613
N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide
CID 65188794
2-methoxybenzohydrazide
CID 24051
2-methoxy-N-[(2S)-3-methyl-1-oxopentan-2-yl]benzamide
CID 173108274
N-(1-amino-4-methylpentan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 63755983
N-pentan-3-yl-2-phenoxybenzamide
CID 884731
N-(1-chloro-4-methylpentan-2-yl)-2-methoxybenzamide
CID 113272537
N-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide
CID 106180569
N-[(1R)-2-hydroxy-1-phenylethyl]-2-methoxybenzamide
CID 39370043
2-methoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 94867704

Frequently Asked Questions

What is the IUPAC name of N-(1-aminobutan-2-yl)-2-methoxybenzamide?
The IUPAC name of N-(1-aminobutan-2-yl)-2-methoxybenzamide (CID 63753352) is N-(1-aminobutan-2-yl)-2-methoxybenzamide.
What is the SMILES notation for N-(1-aminobutan-2-yl)-2-methoxybenzamide?
The canonical SMILES for N-(1-aminobutan-2-yl)-2-methoxybenzamide is CCC(CN)NC(=O)c1ccccc1OC.
What is the InChIKey of N-(1-aminobutan-2-yl)-2-methoxybenzamide?
The InChIKey is ZLMCIPQADUHXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-3-9(8-13)14-12(15)10-6-4-5-7-11(10)16-2/h4-7,9H,3,8,13H2,1-2H3,(H,14,15).
What are the key properties of N-(1-aminobutan-2-yl)-2-methoxybenzamide?
N-(1-aminobutan-2-yl)-2-methoxybenzamide has a molecular weight of 222.29 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminobutan-2-yl)-2-methoxybenzamide is sourced from PubChem (CID 63753352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).