2-(3-aminophenyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide

C14H22N2O3 — CID 107864338

IUPAC2-(3-aminophenyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
SMILESCCC(CO)(CO)NC(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C14H22N2O3/c1-3-14(8-17,9-18)16-13(19)10(2)11-5-4-6-12(15)7-11/h4-7,10,17-18H,3,8-9,15H2,1-2H3,(H,16,19)
InChIKeyDMUOVCRVHZWISZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.62
Rot. Bonds6

About 2-(3-aminophenyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide

2-(3-aminophenyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide (PubChem CID 107864338) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
PubChem CID107864338
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-(3-aminophenyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide
SMILESCCC(CO)(CO)NC(=O)C(C)c1cccc(N)c1
InChIInChI=1S/C14H22N2O3/c1-3-14(8-17,9-18)16-13(19)10(2)11-5-4-6-12(15)7-11/h4-7,10,17-18H,3,8-9,15H2,1-2H3,(H,16,19)
InChIKeyDMUOVCRVHZWISZ-UHFFFAOYSA-N
XLogP0.62
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 106591538
2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide
CID 106591847
2-(3-aminophenyl)-N-(2,3,3-trimethylbutyl)propanamide
CID 106591730
2-(3-aminophenyl)-N-(4-methylphenyl)propanamide
CID 106590701
2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 106591920
2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
N-[1-chloro-2-(chloromethyl)butan-2-yl]-2-phenylpropanamide
CID 114028976
(2R)-2-amino-N-[3-(hydroxymethyl)pentan-3-yl]-2-phenylacetamide
CID 62520326
2-(3-aminophenyl)-N-(4-methylpentyl)propanamide
CID 106591173
2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
CID 106591039
tert-butyl N-[2-[2-(3-aminophenyl)propanoylamino]ethyl]carbamate
CID 106591886
[2-[2-(3-benzoylphenyl)propanoylamino]-3-hydroxy-2-(hydroxymethyl)propyl] 2-(3-benzoylphenyl)propanoate
CID 175674186

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide (CID 107864338) is 2-(3-aminophenyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide is CCC(CO)(CO)NC(=O)C(C)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide?
The InChIKey is DMUOVCRVHZWISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-3-14(8-17,9-18)16-13(19)10(2)11-5-4-6-12(15)7-11/h4-7,10,17-18H,3,8-9,15H2,1-2H3,(H,16,19).
What are the key properties of 2-(3-aminophenyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide?
2-(3-aminophenyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide has a molecular weight of 266.34 g/mol, XLogP of 0.62, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]propanamide is sourced from PubChem (CID 107864338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).