3-(4-aminophenyl)-N-(2,3-dihydroxy-2-methylpropyl)butanamide

C14H22N2O3 — CID 104502779

IUPAC3-(4-aminophenyl)-N-(2,3-dihydroxy-2-methylpropyl)butanamide
SMILESCC(CC(=O)NCC(C)(O)CO)c1ccc(N)cc1
InChIInChI=1S/C14H22N2O3/c1-10(11-3-5-12(15)6-4-11)7-13(18)16-8-14(2,19)9-17/h3-6,10,17,19H,7-9,15H2,1-2H3,(H,16,18)
InChIKeyYGGYDVYCPCBSKL-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.62
Rot. Bonds6

About 3-(4-aminophenyl)-N-(2,3-dihydroxy-2-methylpropyl)butanamide

3-(4-aminophenyl)-N-(2,3-dihydroxy-2-methylpropyl)butanamide (PubChem CID 104502779) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-(2,3-dihydroxy-2-methylpropyl)butanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-(2,3-dihydroxy-2-methylpropyl)butanamide
PubChem CID104502779
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-(4-aminophenyl)-N-(2,3-dihydroxy-2-methylpropyl)butanamide
SMILESCC(CC(=O)NCC(C)(O)CO)c1ccc(N)cc1
InChIInChI=1S/C14H22N2O3/c1-10(11-3-5-12(15)6-4-11)7-13(18)16-8-14(2,19)9-17/h3-6,10,17,19H,7-9,15H2,1-2H3,(H,16,18)
InChIKeyYGGYDVYCPCBSKL-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

3-(4-aminophenyl)-N-[2-(2-methylpropanoylamino)ethyl]butanamide
CID 104502416
3-(4-aminophenyl)-N-(5-hydroxypentyl)butanamide
CID 107317608
4-[3-(4-aminophenyl)butanoylamino]-3-methylbutanoic acid
CID 104502854
3-(4-aminophenyl)-N-(3-methylbut-2-enyl)butanamide
CID 106186853
3-(4-aminophenyl)-N-[2-(dimethylamino)ethyl]butanamide
CID 113420011
N-(4-aminobutyl)-3-(4-aminophenyl)butanamide
CID 104502429
ethyl 3-[3-(4-aminophenyl)butanoylamino]propanoate
CID 104502527
3-(4-aminophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)butanamide
CID 104502977
3-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]butanamide
CID 113463843
3-(4-bromophenyl)-N-(2,2-difluoro-3-hydroxypropyl)butanamide
CID 104857295
3-(4-aminophenyl)-N-[2-(dimethylamino)-3-methylbutyl]butanamide
CID 104502419
N-(2,3-dihydroxy-2-methylpropyl)-3-methylpentanamide
CID 114875437

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-(2,3-dihydroxy-2-methylpropyl)butanamide?
The IUPAC name of 3-(4-aminophenyl)-N-(2,3-dihydroxy-2-methylpropyl)butanamide (CID 104502779) is 3-(4-aminophenyl)-N-(2,3-dihydroxy-2-methylpropyl)butanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-(2,3-dihydroxy-2-methylpropyl)butanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-(2,3-dihydroxy-2-methylpropyl)butanamide is CC(CC(=O)NCC(C)(O)CO)c1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenyl)-N-(2,3-dihydroxy-2-methylpropyl)butanamide?
The InChIKey is YGGYDVYCPCBSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(11-3-5-12(15)6-4-11)7-13(18)16-8-14(2,19)9-17/h3-6,10,17,19H,7-9,15H2,1-2H3,(H,16,18).
What are the key properties of 3-(4-aminophenyl)-N-(2,3-dihydroxy-2-methylpropyl)butanamide?
3-(4-aminophenyl)-N-(2,3-dihydroxy-2-methylpropyl)butanamide 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 3-(4-aminophenyl)-N-(2,3-dihydroxy-2-methylpropyl)butanamide is sourced from PubChem (CID 104502779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).