2-(aminomethyl)-2-ethyl-N-[3-(hydroxymethyl)phenyl]butanamide

C14H22N2O2 — CID 115431812

IUPAC2-(aminomethyl)-2-ethyl-N-[3-(hydroxymethyl)phenyl]butanamide
SMILESCCC(CC)(CN)C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C14H22N2O2/c1-3-14(4-2,10-15)13(18)16-12-7-5-6-11(8-12)9-17/h5-8,17H,3-4,9-10,15H2,1-2H3,(H,16,18)
InChIKeyGCISMVYOWYZPHQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.88
Rot. Bonds6

About 2-(aminomethyl)-2-ethyl-N-[3-(hydroxymethyl)phenyl]butanamide

2-(aminomethyl)-2-ethyl-N-[3-(hydroxymethyl)phenyl]butanamide (PubChem CID 115431812) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-[3-(hydroxymethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-[3-(hydroxymethyl)phenyl]butanamide
PubChem CID115431812
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(aminomethyl)-2-ethyl-N-[3-(hydroxymethyl)phenyl]butanamide
SMILESCCC(CC)(CN)C(=O)Nc1cccc(CO)c1
InChIInChI=1S/C14H22N2O2/c1-3-14(4-2,10-15)13(18)16-12-7-5-6-11(8-12)9-17/h5-8,17H,3-4,9-10,15H2,1-2H3,(H,16,18)
InChIKeyGCISMVYOWYZPHQ-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide
CID 115432410
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide
CID 115431854
2-bromo-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 82110089
N-[3-(hydroxymethyl)phenyl]propanamide
CID 12959862
2-(4-aminophenyl)-N-[3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 80555200
2-(aminomethyl)-2-ethyl-N-[3-(2H-tetrazol-5-yl)phenyl]butanamide
CID 115431915
2-(aminomethyl)-N-(3-bromo-4-methylphenyl)-2-ethylbutanamide
CID 113308965
5-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-hydroxybenzoic acid
CID 115432252
5-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-methylbenzoic acid
CID 115432532
3-amino-N-[[3-(hydroxymethyl)phenyl]methyl]-2,2-dimethylpropanamide;hydrochloride
CID 119775484
2-(aminomethyl)-N-[4-[(dimethylamino)methyl]phenyl]-2-ethylbutanamide
CID 115431890
4-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-2-chlorobenzoic acid
CID 115432438

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-[3-(hydroxymethyl)phenyl]butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-[3-(hydroxymethyl)phenyl]butanamide (CID 115431812) is 2-(aminomethyl)-2-ethyl-N-[3-(hydroxymethyl)phenyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-[3-(hydroxymethyl)phenyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-[3-(hydroxymethyl)phenyl]butanamide is CCC(CC)(CN)C(=O)Nc1cccc(CO)c1.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-[3-(hydroxymethyl)phenyl]butanamide?
The InChIKey is GCISMVYOWYZPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-14(4-2,10-15)13(18)16-12-7-5-6-11(8-12)9-17/h5-8,17H,3-4,9-10,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-[3-(hydroxymethyl)phenyl]butanamide?
2-(aminomethyl)-2-ethyl-N-[3-(hydroxymethyl)phenyl]butanamide has a molecular weight of 250.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-[3-(hydroxymethyl)phenyl]butanamide is sourced from PubChem (CID 115431812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).