4-(2-aminoethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide

C14H22N2O2 — CID 79250291

IUPAC4-(2-aminoethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@@H](CO)NC(=O)c1ccc(CCN)cc1
InChIInChI=1S/C14H22N2O2/c1-10(2)13(9-17)16-14(18)12-5-3-11(4-6-12)7-8-15/h3-6,10,13,17H,7-9,15H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyCBGNDSRABHWSPB-CYBMUJFWSA-N
MW250.34 g/mol
LogP0.93
Rot. Bonds6

About 4-(2-aminoethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide

4-(2-aminoethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide (PubChem CID 79250291) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
PubChem CID79250291
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name4-(2-aminoethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
SMILESCC(C)[C@@H](CO)NC(=O)c1ccc(CCN)cc1
InChIInChI=1S/C14H22N2O2/c1-10(2)13(9-17)16-14(18)12-5-3-11(4-6-12)7-8-15/h3-6,10,13,17H,7-9,15H2,1-2H3,(H,16,18)/t13-/m1/s1
InChIKeyCBGNDSRABHWSPB-CYBMUJFWSA-N
XLogP0.93
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(chloromethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79250325
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-(methylsulfanylmethyl)benzamide
CID 79246122
4-(acetamidomethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79252904
4-(2-aminoethyl)-N-but-3-yn-2-ylbenzamide
CID 114417205
N-(1-amino-4-methylpentan-3-yl)-4-ethylbenzamide
CID 106356762
4-[4-(2-aminoethyl)phenyl]-N-[(3S,4R)-1,4-dihydroxy-2-oxopentan-3-yl]benzamide
CID 58342514
4-(2-aminoethyl)-N-[(1S)-1-thiophen-2-ylethyl]benzamide
CID 81407811
4-(2-aminoethyl)-N-[1-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-3-methylbutan-2-yl]benzamide
CID 18326378
4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81375650
4-(2-aminoethyl)-N-methoxybenzamide
CID 64974995
2-(4-aminophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79248650
4-[4-(2-aminoethyl)phenyl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
CID 59698253

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The IUPAC name of 4-(2-aminoethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide (CID 79250291) is 4-(2-aminoethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide is CC(C)[C@@H](CO)NC(=O)c1ccc(CCN)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
The InChIKey is CBGNDSRABHWSPB-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)13(9-17)16-14(18)12-5-3-11(4-6-12)7-8-15/h3-6,10,13,17H,7-9,15H2,1-2H3,(H,16,18)/t13-/m1/s1.
What are the key properties of 4-(2-aminoethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide?
4-(2-aminoethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide has a molecular weight of 250.34 g/mol, XLogP of 0.93, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide is sourced from PubChem (CID 79250291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).