3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide

C14H22N2O2 — CID 61240501

IUPAC3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(CO)NC(=O)c1cccc(CN)c1
InChIInChI=1S/C14H22N2O2/c1-10(2)6-13(9-17)16-14(18)12-5-3-4-11(7-12)8-15/h3-5,7,10,13,17H,6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyUFFHVUHUZUDDJE-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.28
Rot. Bonds6

About 3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide

3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide (PubChem CID 61240501) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
PubChem CID61240501
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
SMILESCC(C)CC(CO)NC(=O)c1cccc(CN)c1
InChIInChI=1S/C14H22N2O2/c1-10(2)6-13(9-17)16-14(18)12-5-3-4-11(7-12)8-15/h3-5,7,10,13,17H,6,8-9,15H2,1-2H3,(H,16,18)
InChIKeyUFFHVUHUZUDDJE-UHFFFAOYSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[3-(aminomethyl)benzoyl]amino]-4-methylpentanoate
CID 82546362
3-(aminomethyl)-N-butan-2-ylbenzamide
CID 16778307
3-(2-aminoethyl)-N-[1-(dimethylamino)-4-methylpentan-2-yl]benzamide
CID 62592624
3-(aminomethyl)-N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]benzamide
CID 85049886
3-(aminomethyl)-N-(3-ethylpentan-2-yl)benzamide
CID 55261527
3-N-(1-amino-4-methylpentan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119587745
N-(1-amino-4-methylpentan-2-yl)-3-fluorobenzamide
CID 55243905
3,4-dichloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61246469
4-hydroxy-N-(1-hydroxy-4-methylpentan-2-yl)-3-methylbenzamide
CID 103957663
N-(1-hydroxy-4-methylpentan-2-yl)pyridine-3-carboxamide
CID 61246175
3-fluoro-N-(1-hydroxy-4-methylpentan-2-yl)-4-methylbenzamide
CID 61247340
3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119585729

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
The IUPAC name of 3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide (CID 61240501) is 3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide.
What is the SMILES notation for 3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
The canonical SMILES for 3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide is CC(C)CC(CO)NC(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
The InChIKey is UFFHVUHUZUDDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)6-13(9-17)16-14(18)12-5-3-4-11(7-12)8-15/h3-5,7,10,13,17H,6,8-9,15H2,1-2H3,(H,16,18).
What are the key properties of 3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide?
3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide has a molecular weight of 250.34 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide is sourced from PubChem (CID 61240501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).