N-(2-aminoethyl)-N-cyclopropyl-3-hydroxybenzamide

C12H16N2O2 — CID 61349964

IUPACN-(2-aminoethyl)-N-cyclopropyl-3-hydroxybenzamide
SMILESNCCN(C(=O)c1cccc(O)c1)C1CC1
InChIInChI=1S/C12H16N2O2/c13-6-7-14(10-4-5-10)12(16)9-2-1-3-11(15)8-9/h1-3,8,10,15H,4-7,13H2
InChIKeySJLDXZOJLGDTKO-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.96
Rot. Bonds4

About N-(2-aminoethyl)-N-cyclopropyl-3-hydroxybenzamide

N-(2-aminoethyl)-N-cyclopropyl-3-hydroxybenzamide (PubChem CID 61349964) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclopropyl-3-hydroxybenzamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclopropyl-3-hydroxybenzamide
PubChem CID61349964
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(2-aminoethyl)-N-cyclopropyl-3-hydroxybenzamide
SMILESNCCN(C(=O)c1cccc(O)c1)C1CC1
InChIInChI=1S/C12H16N2O2/c13-6-7-14(10-4-5-10)12(16)9-2-1-3-11(15)8-9/h1-3,8,10,15H,4-7,13H2
InChIKeySJLDXZOJLGDTKO-UHFFFAOYSA-N
XLogP0.96
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-hydroxy-N-(2-hydroxyethyl)benzamide
CID 54994210
N-(2-aminoethyl)-N-cyclopentyl-3-methylbenzamide
CID 55241758
3-bromo-N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394655
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]benzamide
CID 64592060
3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43576965
N-(3-aminopropyl)-N-cycloheptyl-3-fluorobenzamide
CID 43319433
N-(2-chloroethyl)-N-cyclopropylbenzamide
CID 63394612
N-cyclopentyl-3-hydroxy-N-methylbenzamide
CID 43243153
N-(2-amino-1-cyclopropylethyl)-3-hydroxy-N-methylbenzamide
CID 116651907
N-(2-aminoethyl)-N-cyclobutyl-2-methylpyridine-4-carboxamide
CID 106754373
N-(2-aminoethyl)-N-cyclopentyl-4-hydroxy-2-methylbenzamide
CID 107670547
N-(2-chloroethyl)-N-cyclopropyl-3-methoxybenzamide
CID 63394478

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclopropyl-3-hydroxybenzamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclopropyl-3-hydroxybenzamide (CID 61349964) is N-(2-aminoethyl)-N-cyclopropyl-3-hydroxybenzamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclopropyl-3-hydroxybenzamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclopropyl-3-hydroxybenzamide is NCCN(C(=O)c1cccc(O)c1)C1CC1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclopropyl-3-hydroxybenzamide?
The InChIKey is SJLDXZOJLGDTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c13-6-7-14(10-4-5-10)12(16)9-2-1-3-11(15)8-9/h1-3,8,10,15H,4-7,13H2.
What are the key properties of N-(2-aminoethyl)-N-cyclopropyl-3-hydroxybenzamide?
N-(2-aminoethyl)-N-cyclopropyl-3-hydroxybenzamide has a molecular weight of 220.27 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclopropyl-3-hydroxybenzamide is sourced from PubChem (CID 61349964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).