3-amino-N-[(4-hydroxyphenyl)methyl]butanamide

C11H16N2O2 — CID 114332164

IUPAC3-amino-N-[(4-hydroxyphenyl)methyl]butanamide
SMILESCC(N)CC(=O)NCc1ccc(O)cc1
InChIInChI=1S/C11H16N2O2/c1-8(12)6-11(15)13-7-9-2-4-10(14)5-3-9/h2-5,8,14H,6-7,12H2,1H3,(H,13,15)
InChIKeyUDMDIUHXBSDBPI-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.75
Rot. Bonds4

About 3-amino-N-[(4-hydroxyphenyl)methyl]butanamide

3-amino-N-[(4-hydroxyphenyl)methyl]butanamide (PubChem CID 114332164) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-amino-N-[(4-hydroxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[(4-hydroxyphenyl)methyl]butanamide
PubChem CID114332164
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-amino-N-[(4-hydroxyphenyl)methyl]butanamide
SMILESCC(N)CC(=O)NCc1ccc(O)cc1
InChIInChI=1S/C11H16N2O2/c1-8(12)6-11(15)13-7-9-2-4-10(14)5-3-9/h2-5,8,14H,6-7,12H2,1H3,(H,13,15)
InChIKeyUDMDIUHXBSDBPI-UHFFFAOYSA-N
XLogP0.75
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(4-hydroxyphenyl)methyl]-3-methylbutanamide
CID 114332207
3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119701237
4-[(3-aminobutanoylamino)methyl]-N,N-diethylbenzamide
CID 119712847
3-amino-N-[[4-(methanesulfonamido)phenyl]methyl]butanamide;hydrochloride
CID 119710882
3-amino-N-[[4-(2-hydroxyethoxy)phenyl]methyl]butanamide
CID 119758174
3-amino-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
CID 61258869
3-amino-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]butanamide
CID 119867293
4-hydroxy-N-[(4-hydroxyphenyl)methyl]pentanamide
CID 114332833
3-amino-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 60836849
3-amino-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]butanamide
CID 119901440
5-[(3-aminobutanoylamino)methyl]pyridine-2-carboxylic acid
CID 81100485
3-amino-N-[[4-[(3-methylphenyl)methoxy]phenyl]methyl]butanamide
CID 119712227

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(4-hydroxyphenyl)methyl]butanamide?
The IUPAC name of 3-amino-N-[(4-hydroxyphenyl)methyl]butanamide (CID 114332164) is 3-amino-N-[(4-hydroxyphenyl)methyl]butanamide.
What is the SMILES notation for 3-amino-N-[(4-hydroxyphenyl)methyl]butanamide?
The canonical SMILES for 3-amino-N-[(4-hydroxyphenyl)methyl]butanamide is CC(N)CC(=O)NCc1ccc(O)cc1.
What is the InChIKey of 3-amino-N-[(4-hydroxyphenyl)methyl]butanamide?
The InChIKey is UDMDIUHXBSDBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(12)6-11(15)13-7-9-2-4-10(14)5-3-9/h2-5,8,14H,6-7,12H2,1H3,(H,13,15).
What are the key properties of 3-amino-N-[(4-hydroxyphenyl)methyl]butanamide?
3-amino-N-[(4-hydroxyphenyl)methyl]butanamide has a molecular weight of 208.26 g/mol, XLogP of 0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(4-hydroxyphenyl)methyl]butanamide is sourced from PubChem (CID 114332164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).