2-amino-2-ethyl-N-[2-(1-hydroxyethyl)phenyl]butanamide

C14H22N2O2 — CID 79813414

IUPAC2-amino-2-ethyl-N-[2-(1-hydroxyethyl)phenyl]butanamide
SMILESCCC(N)(CC)C(=O)Nc1ccccc1C(C)O
InChIInChI=1S/C14H22N2O2/c1-4-14(15,5-2)13(18)16-12-9-7-6-8-11(12)10(3)17/h6-10,17H,4-5,15H2,1-3H3,(H,16,18)
InChIKeyLAVBMJQEIUCEBU-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.20
Rot. Bonds5

About 2-amino-2-ethyl-N-[2-(1-hydroxyethyl)phenyl]butanamide

2-amino-2-ethyl-N-[2-(1-hydroxyethyl)phenyl]butanamide (PubChem CID 79813414) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-amino-2-ethyl-N-[2-(1-hydroxyethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-amino-2-ethyl-N-[2-(1-hydroxyethyl)phenyl]butanamide
PubChem CID79813414
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-amino-2-ethyl-N-[2-(1-hydroxyethyl)phenyl]butanamide
SMILESCCC(N)(CC)C(=O)Nc1ccccc1C(C)O
InChIInChI=1S/C14H22N2O2/c1-4-14(15,5-2)13(18)16-12-9-7-6-8-11(12)10(3)17/h6-10,17H,4-5,15H2,1-3H3,(H,16,18)
InChIKeyLAVBMJQEIUCEBU-UHFFFAOYSA-N
XLogP2.20
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1-hydroxyethyl)phenyl]-2,2-dimethylbutanamide
CID 55103349
2-amino-3,3,3-trifluoro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
CID 79805032
N-[2-(1-hydroxyethyl)phenyl]butanamide
CID 43508507
2-amino-2-methyl-N-(2-propan-2-ylphenyl)pentanamide
CID 60849102
3-(ethylamino)-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62838572
3-chloro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62727616
2-acetamido-N-[2-(1-hydroxyethyl)phenyl]acetamide
CID 54963204
2-amino-2-ethyl-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 79815252
2-amino-N-(2-ethoxy-3-pyridinyl)-2-ethylbutanamide
CID 79809690
2-amino-2-ethyl-N-[(1S)-1-(2-methoxyphenyl)ethyl]butanamide
CID 81387544
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-hydroxy-N-[2-(1-hydroxyethyl)phenyl]benzamide
CID 43508470

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-N-[2-(1-hydroxyethyl)phenyl]butanamide?
The IUPAC name of 2-amino-2-ethyl-N-[2-(1-hydroxyethyl)phenyl]butanamide (CID 79813414) is 2-amino-2-ethyl-N-[2-(1-hydroxyethyl)phenyl]butanamide.
What is the SMILES notation for 2-amino-2-ethyl-N-[2-(1-hydroxyethyl)phenyl]butanamide?
The canonical SMILES for 2-amino-2-ethyl-N-[2-(1-hydroxyethyl)phenyl]butanamide is CCC(N)(CC)C(=O)Nc1ccccc1C(C)O.
What is the InChIKey of 2-amino-2-ethyl-N-[2-(1-hydroxyethyl)phenyl]butanamide?
The InChIKey is LAVBMJQEIUCEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-14(15,5-2)13(18)16-12-9-7-6-8-11(12)10(3)17/h6-10,17H,4-5,15H2,1-3H3,(H,16,18).
What are the key properties of 2-amino-2-ethyl-N-[2-(1-hydroxyethyl)phenyl]butanamide?
2-amino-2-ethyl-N-[2-(1-hydroxyethyl)phenyl]butanamide has a molecular weight of 250.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-N-[2-(1-hydroxyethyl)phenyl]butanamide is sourced from PubChem (CID 79813414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).