N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(methylamino)ethyl]benzamide

C14H21N3O2 — CID 104547692

IUPACN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(methylamino)ethyl]benzamide
SMILESCNCCc1ccccc1C(=O)NC(C)(C)C(N)=O
InChIInChI=1S/C14H21N3O2/c1-14(2,13(15)19)17-12(18)11-7-5-4-6-10(11)8-9-16-3/h4-7,16H,8-9H2,1-3H3,(H2,15,19)(H,17,18)
InChIKeyOGTNRGNXZHTKMB-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.44
Rot. Bonds6

About N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(methylamino)ethyl]benzamide

N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(methylamino)ethyl]benzamide (PubChem CID 104547692) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(methylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(methylamino)ethyl]benzamide
PubChem CID104547692
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(methylamino)ethyl]benzamide
SMILESCNCCc1ccccc1C(=O)NC(C)(C)C(N)=O
InChIInChI=1S/C14H21N3O2/c1-14(2,13(15)19)17-12(18)11-7-5-4-6-10(11)8-9-16-3/h4-7,16H,8-9H2,1-3H3,(H2,15,19)(H,17,18)
InChIKeyOGTNRGNXZHTKMB-UHFFFAOYSA-N
XLogP0.44
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(methylamino)ethyl]benzohydrazide
CID 104547939
2-[2-(methylamino)ethyl]benzamide
CID 69094527
2,2-dimethyl-1-[2-[2-(methylamino)ethyl]phenyl]propan-1-one
CID 116613271
2-cyclopropyl-2-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 104547660
2-methylpropyl 2-[2-(methylamino)ethyl]benzoate
CID 104548518
N-(2-methoxy-2-methylpropyl)-2-[2-(methylamino)ethyl]benzamide
CID 104761286
N-(4-hydroxy-2,2-dimethylbutyl)-2-[2-(methylamino)ethyl]benzamide
CID 106147962
2-[2-(methylamino)ethyl]-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 104547416
3-[[2-[2-(methylamino)ethyl]benzoyl]amino]propanoic acid
CID 71070439
2-[2-(methylamino)ethyl]-N-prop-2-enylbenzamide
CID 104547357
2-[2-(methylamino)ethyl]-N-(pyridazin-3-ylmethyl)benzamide
CID 106896095
2-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)benzamide
CID 106096520

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(methylamino)ethyl]benzamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(methylamino)ethyl]benzamide (CID 104547692) is N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(methylamino)ethyl]benzamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(methylamino)ethyl]benzamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(methylamino)ethyl]benzamide is CNCCc1ccccc1C(=O)NC(C)(C)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(methylamino)ethyl]benzamide?
The InChIKey is OGTNRGNXZHTKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,13(15)19)17-12(18)11-7-5-4-6-10(11)8-9-16-3/h4-7,16H,8-9H2,1-3H3,(H2,15,19)(H,17,18).
What are the key properties of N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(methylamino)ethyl]benzamide?
N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(methylamino)ethyl]benzamide has a molecular weight of 263.34 g/mol, XLogP of 0.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxopropan-2-yl)-2-[2-(methylamino)ethyl]benzamide is sourced from PubChem (CID 104547692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).