N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide

C14H21N3O2 — CID 106274758

IUPACN-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide
SMILESCC(C)(CNC(=O)c1cccc(CCN)c1)C(N)=O
InChIInChI=1S/C14H21N3O2/c1-14(2,13(16)19)9-17-12(18)11-5-3-4-10(8-11)6-7-15/h3-5,8H,6-7,9,15H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyJPNSNGNWUCREOE-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.43
Rot. Bonds6

About N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide

N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide (PubChem CID 106274758) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide
PubChem CID106274758
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide
SMILESCC(C)(CNC(=O)c1cccc(CCN)c1)C(N)=O
InChIInChI=1S/C14H21N3O2/c1-14(2,13(16)19)9-17-12(18)11-5-3-4-10(8-11)6-7-15/h3-5,8H,6-7,9,15H2,1-2H3,(H2,16,19)(H,17,18)
InChIKeyJPNSNGNWUCREOE-UHFFFAOYSA-N
XLogP0.43
TPSA98.21 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 ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(2-aminoethyl)-N-(2-ethoxyethyl)benzamide
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3-(2-aminoethyl)-N-(pyridin-4-ylmethyl)benzamide
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3-(2-aminoethyl)-N-(3-methylsulfinylpropyl)benzamide
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N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(4-hydroxybut-1-ynyl)benzamide
CID 106279754
N-(3-amino-2,2-dimethyl-3-oxopropyl)-4-hydroxybenzamide
CID 103875188
methyl 3-(2-aminoethyl)benzoate
CID 10511548
3-(2-aminoethyl)-N-(cyclobutylmethyl)benzamide
CID 62592961
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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide?
The IUPAC name of N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide (CID 106274758) is N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide.
What is the SMILES notation for N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide?
The canonical SMILES for N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide is CC(C)(CNC(=O)c1cccc(CCN)c1)C(N)=O.
What is the InChIKey of N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide?
The InChIKey is JPNSNGNWUCREOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,13(16)19)9-17-12(18)11-5-3-4-10(8-11)6-7-15/h3-5,8H,6-7,9,15H2,1-2H3,(H2,16,19)(H,17,18).
What are the key properties of N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide?
N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide has a molecular weight of 263.34 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethyl-3-oxopropyl)-3-(2-aminoethyl)benzamide is sourced from PubChem (CID 106274758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).