N-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide

C13H20N2O2 — CID 106180025

IUPACN-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide
SMILESCOCC(CN)NC(=O)c1cccc(C)c1C
InChIInChI=1S/C13H20N2O2/c1-9-5-4-6-12(10(9)2)13(16)15-11(7-14)8-17-3/h4-6,11H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyNETAKFCSJAHKBR-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.01
Rot. Bonds5

About N-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide

N-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide (PubChem CID 106180025) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide
PubChem CID106180025
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide
SMILESCOCC(CN)NC(=O)c1cccc(C)c1C
InChIInChI=1S/C13H20N2O2/c1-9-5-4-6-12(10(9)2)13(16)15-11(7-14)8-17-3/h4-6,11H,7-8,14H2,1-3H3,(H,15,16)
InChIKeyNETAKFCSJAHKBR-UHFFFAOYSA-N
XLogP1.01
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-bromo-3-methoxypropan-2-yl)-2,3-dimethylbenzamide
CID 106183783
N-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide
CID 106180175
N-(1-amino-3-phenylpropan-2-yl)-2,3-dimethylbenzamide
CID 63755410
N-(1-aminopropan-2-yl)-2,3-dimethylbenzamide
CID 63731328
N-(1-chloro-3-methoxypropan-2-yl)-3-hydroxy-2-methylbenzamide
CID 106183507
N-(4-hydroxy-1-methoxybutan-2-yl)-2-iodo-3-methylbenzamide
CID 103851034
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 106152007
N-(1-amino-3-methoxypropan-2-yl)-2-(difluoromethoxy)benzamide
CID 106180569
N-(1-amino-3-methoxypropan-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 106180889
3-bromo-N-(1-chloro-3-methoxypropan-2-yl)-2-methylbenzamide
CID 106182197
2-bromo-N-(4-hydroxy-1-methoxybutan-2-yl)-3-methylbenzamide
CID 103855412
2,3-dimethylbenzohydrazide
CID 16790549

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide?
The IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide (CID 106180025) is N-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide.
What is the SMILES notation for N-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide?
The canonical SMILES for N-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide is COCC(CN)NC(=O)c1cccc(C)c1C.
What is the InChIKey of N-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide?
The InChIKey is NETAKFCSJAHKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-9-5-4-6-12(10(9)2)13(16)15-11(7-14)8-17-3/h4-6,11H,7-8,14H2,1-3H3,(H,15,16).
What are the key properties of N-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide?
N-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide has a molecular weight of 236.31 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methoxypropan-2-yl)-2,3-dimethylbenzamide is sourced from PubChem (CID 106180025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).