3-amino-2,2,3-trimethyl-N-(4-propan-2-yloxyphenyl)butanamide

C16H26N2O2 — CID 65264385

IUPAC3-amino-2,2,3-trimethyl-N-(4-propan-2-yloxyphenyl)butanamide
SMILESCC(C)Oc1ccc(NC(=O)C(C)(C)C(C)(C)N)cc1
InChIInChI=1S/C16H26N2O2/c1-11(2)20-13-9-7-12(8-10-13)18-14(19)15(3,4)16(5,6)17/h7-11H,17H2,1-6H3,(H,18,19)
InChIKeyIPOUHRZDZXHCFB-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.18
Rot. Bonds5

About 3-amino-2,2,3-trimethyl-N-(4-propan-2-yloxyphenyl)butanamide

3-amino-2,2,3-trimethyl-N-(4-propan-2-yloxyphenyl)butanamide (PubChem CID 65264385) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-(4-propan-2-yloxyphenyl)butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-(4-propan-2-yloxyphenyl)butanamide
PubChem CID65264385
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-amino-2,2,3-trimethyl-N-(4-propan-2-yloxyphenyl)butanamide
SMILESCC(C)Oc1ccc(NC(=O)C(C)(C)C(C)(C)N)cc1
InChIInChI=1S/C16H26N2O2/c1-11(2)20-13-9-7-12(8-10-13)18-14(19)15(3,4)16(5,6)17/h7-11H,17H2,1-6H3,(H,18,19)
InChIKeyIPOUHRZDZXHCFB-UHFFFAOYSA-N
XLogP3.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3,3,3-trifluoro-2-methyl-N-(4-propan-2-yloxyphenyl)propanamide
CID 79797421
2-amino-3,3-dimethyl-N-(4-propan-2-yloxyphenyl)butanamide
CID 76892558
3-amino-N-(4-hydroxyphenyl)-2,2,3-trimethylbutanamide
CID 65264564
(2S)-2-methoxy-2-methyl-N-(4-propan-2-yloxyphenyl)hexanamide
CID 100699590
2-hydroxy-2-methyl-3-(4-propan-2-yloxyanilino)propanoic acid
CID 104643867
N-(4-acetylphenyl)-3-amino-2,2,3-trimethylbutanamide
CID 65269737
2-amino-3-methyl-N-(4-propan-2-yloxyphenyl)butanamide;hydrochloride
CID 119280468
2,2-dimethyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]propanamide
CID 112999062
(2S)-2-ethoxy-2,4-dimethyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 100722911
(2R)-2-ethoxy-2,4-dimethyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 100722919
2-methyl-N-(4-propan-2-yloxyphenyl)-2-propoxybutanamide
CID 133203827
2-oxo-2-(4-propan-2-yloxyanilino)acetic acid
CID 28710622

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-(4-propan-2-yloxyphenyl)butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-(4-propan-2-yloxyphenyl)butanamide (CID 65264385) is 3-amino-2,2,3-trimethyl-N-(4-propan-2-yloxyphenyl)butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-(4-propan-2-yloxyphenyl)butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-(4-propan-2-yloxyphenyl)butanamide is CC(C)Oc1ccc(NC(=O)C(C)(C)C(C)(C)N)cc1.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-(4-propan-2-yloxyphenyl)butanamide?
The InChIKey is IPOUHRZDZXHCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(2)20-13-9-7-12(8-10-13)18-14(19)15(3,4)16(5,6)17/h7-11H,17H2,1-6H3,(H,18,19).
What are the key properties of 3-amino-2,2,3-trimethyl-N-(4-propan-2-yloxyphenyl)butanamide?
3-amino-2,2,3-trimethyl-N-(4-propan-2-yloxyphenyl)butanamide has a molecular weight of 278.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-N-(4-propan-2-yloxyphenyl)butanamide is sourced from PubChem (CID 65264385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).