3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide

C16H26N2O2 — CID 119792655

IUPAC3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide
SMILESCC(N)CC(=O)NCC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-11(17)9-15(20)18-10-14(19)12-5-7-13(8-6-12)16(2,3)4/h5-8,11,14,19H,9-10,17H2,1-4H3,(H,18,20)
InChIKeyHMOLMQABWQZDGC-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.87
Rot. Bonds5

About 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide

3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide (PubChem CID 119792655) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide
PubChem CID119792655
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide
SMILESCC(N)CC(=O)NCC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-11(17)9-15(20)18-10-14(19)12-5-7-13(8-6-12)16(2,3)4/h5-8,11,14,19H,9-10,17H2,1-4H3,(H,18,20)
InChIKeyHMOLMQABWQZDGC-UHFFFAOYSA-N
XLogP1.87
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]propanamide;hydrochloride
CID 119328649
4-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide;hydrochloride
CID 119328673
(2S)-2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-phenylpropanamide
CID 119328654
2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride
CID 119792652
1-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-ethylurea
CID 111422305
1-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 119792619
3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide
CID 119719419
2-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-phenylacetamide;hydrochloride
CID 119328661
3-amino-N-[2-(4-tert-butylphenyl)sulfonylethyl]butanamide
CID 119778978
3-amino-N-[2-(3-chlorophenyl)-2-hydroxyethyl]butanamide;hydrochloride
CID 119719418
2-(4-tert-butylphenoxy)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
CID 55655578
1-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]propan-2-ol
CID 82313601

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide?
The IUPAC name of 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide (CID 119792655) is 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide?
The canonical SMILES for 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide is CC(N)CC(=O)NCC(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide?
The InChIKey is HMOLMQABWQZDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(17)9-15(20)18-10-14(19)12-5-7-13(8-6-12)16(2,3)4/h5-8,11,14,19H,9-10,17H2,1-4H3,(H,18,20).
What are the key properties of 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide?
3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide has a molecular weight of 278.40 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]butanamide is sourced from PubChem (CID 119792655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).