4-(2-aminoethyl)-N-(2-hydroxycyclohexyl)-N-methylbenzamide

C16H24N2O2 — CID 102631902

IUPAC4-(2-aminoethyl)-N-(2-hydroxycyclohexyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(CCN)cc1)C1CCCCC1O
InChIInChI=1S/C16H24N2O2/c1-18(14-4-2-3-5-15(14)19)16(20)13-8-6-12(7-9-13)10-11-17/h6-9,14-15,19H,2-5,10-11,17H2,1H3
InChIKeyDBFBVWKBSINXTH-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.56
Rot. Bonds4

About 4-(2-aminoethyl)-N-(2-hydroxycyclohexyl)-N-methylbenzamide

4-(2-aminoethyl)-N-(2-hydroxycyclohexyl)-N-methylbenzamide (PubChem CID 102631902) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(2-hydroxycyclohexyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(2-hydroxycyclohexyl)-N-methylbenzamide
PubChem CID102631902
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-(2-aminoethyl)-N-(2-hydroxycyclohexyl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(CCN)cc1)C1CCCCC1O
InChIInChI=1S/C16H24N2O2/c1-18(14-4-2-3-5-15(14)19)16(20)13-8-6-12(7-9-13)10-11-17/h6-9,14-15,19H,2-5,10-11,17H2,1H3
InChIKeyDBFBVWKBSINXTH-UHFFFAOYSA-N
XLogP1.56
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxycyclohexyl)-N-methyl-4-(methylsulfanylmethyl)benzamide
CID 102634950
N-(2-hydroxycyclohexyl)-N-methyl-4-sulfanylbenzamide
CID 107036646
N-(2-hydroxycyclohexyl)-N-methyl-4-methylsulfanylbenzamide
CID 102634914
N-[(1S,2R)-2-hydroxycyclohexyl]-N-methyl-4-phenylbenzamide
CID 27245407
4-(2-aminoethyl)-N-[(1R,2S,3S)-2-hydroxy-3-phenoxycyclopentyl]-N-methylbenzamide
CID 110147140
3,4-difluoro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102635266
N-(2-hydroxycyclohexyl)-4-(3-hydroxyprop-1-ynyl)-N-methylbenzamide
CID 102635822
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(methanesulfonamido)-N-methylbenzamide
CID 19916348
3-amino-4-chloro-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631175
N-(2-hydroxycyclohexyl)-N-methyl-3-(4-methylphenyl)propanamide
CID 102635327
N-[(1S,2S)-2-hydroxycyclohexyl]-3,4-dimethoxy-N-methylbenzamide
CID 27261505
3-amino-4-ethoxy-N-(2-hydroxycyclohexyl)-N-methylbenzamide
CID 102631172

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(2-hydroxycyclohexyl)-N-methylbenzamide?
The IUPAC name of 4-(2-aminoethyl)-N-(2-hydroxycyclohexyl)-N-methylbenzamide (CID 102631902) is 4-(2-aminoethyl)-N-(2-hydroxycyclohexyl)-N-methylbenzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(2-hydroxycyclohexyl)-N-methylbenzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(2-hydroxycyclohexyl)-N-methylbenzamide is CN(C(=O)c1ccc(CCN)cc1)C1CCCCC1O.
What is the InChIKey of 4-(2-aminoethyl)-N-(2-hydroxycyclohexyl)-N-methylbenzamide?
The InChIKey is DBFBVWKBSINXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-18(14-4-2-3-5-15(14)19)16(20)13-8-6-12(7-9-13)10-11-17/h6-9,14-15,19H,2-5,10-11,17H2,1H3.
What are the key properties of 4-(2-aminoethyl)-N-(2-hydroxycyclohexyl)-N-methylbenzamide?
4-(2-aminoethyl)-N-(2-hydroxycyclohexyl)-N-methylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(2-hydroxycyclohexyl)-N-methylbenzamide is sourced from PubChem (CID 102631902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).