4-amino-N-[3-(hydroxymethyl)phenyl]butanamide

C11H16N2O2 — CID 43707512

IUPAC4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
SMILESNCCCC(=O)Nc1cccc(CO)c1
InChIInChI=1S/C11H16N2O2/c12-6-2-5-11(15)13-10-4-1-3-9(7-10)8-14/h1,3-4,7,14H,2,5-6,8,12H2,(H,13,15)
InChIKeyBTDZFDDBPRMAOU-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.86
Rot. Bonds5

About 4-amino-N-[3-(hydroxymethyl)phenyl]butanamide

4-amino-N-[3-(hydroxymethyl)phenyl]butanamide (PubChem CID 43707512) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-amino-N-[3-(hydroxymethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
PubChem CID43707512
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-amino-N-[3-(hydroxymethyl)phenyl]butanamide
SMILESNCCCC(=O)Nc1cccc(CO)c1
InChIInChI=1S/C11H16N2O2/c12-6-2-5-11(15)13-10-4-1-3-9(7-10)8-14/h1,3-4,7,14H,2,5-6,8,12H2,(H,13,15)
InChIKeyBTDZFDDBPRMAOU-UHFFFAOYSA-N
XLogP0.86
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-(methoxymethyl)phenyl]butanamide
CID 43698497
N-[3-(hydroxymethyl)phenyl]-4-methoxybutanamide
CID 78986765
N-[3-(hydroxymethyl)phenyl]hept-6-ynamide
CID 113349468
N-[3-(hydroxymethyl)phenyl]-4-oxopentanamide
CID 62197477
4-amino-N-[3-(diethylaminomethyl)phenyl]butanamide;dihydrochloride
CID 119852879
4-amino-N-[3-(tert-butylsulfonylmethyl)phenyl]butanamide
CID 119324076
6-amino-N-[3-(diethylaminomethyl)phenyl]hexanamide
CID 43711987
4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide
CID 119312070
N-[3-(hydroxymethyl)phenyl]propanamide
CID 12959862
4-amino-N-[2-(3-ethylanilino)-2-oxoethyl]butanamide;hydrochloride
CID 119312069
4-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]butanamide
CID 119333559
4-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]butanamide
CID 119902624

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(hydroxymethyl)phenyl]butanamide?
The IUPAC name of 4-amino-N-[3-(hydroxymethyl)phenyl]butanamide (CID 43707512) is 4-amino-N-[3-(hydroxymethyl)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[3-(hydroxymethyl)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[3-(hydroxymethyl)phenyl]butanamide is NCCCC(=O)Nc1cccc(CO)c1.
What is the InChIKey of 4-amino-N-[3-(hydroxymethyl)phenyl]butanamide?
The InChIKey is BTDZFDDBPRMAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c12-6-2-5-11(15)13-10-4-1-3-9(7-10)8-14/h1,3-4,7,14H,2,5-6,8,12H2,(H,13,15).
What are the key properties of 4-amino-N-[3-(hydroxymethyl)phenyl]butanamide?
4-amino-N-[3-(hydroxymethyl)phenyl]butanamide has a molecular weight of 208.26 g/mol, XLogP of 0.86, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(hydroxymethyl)phenyl]butanamide is sourced from PubChem (CID 43707512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).