3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide

C16H26N2O2 — CID 102905725

IUPAC3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide
SMILESCOCCc1ccccc1NC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C16H26N2O2/c1-15(2,16(3,4)17)14(19)18-13-9-7-6-8-12(13)10-11-20-5/h6-9H,10-11,17H2,1-5H3,(H,18,19)
InChIKeyQBNIWJYNRHUFNL-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.58
Rot. Bonds6

About 3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide

3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide (PubChem CID 102905725) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide
PubChem CID102905725
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide
SMILESCOCCc1ccccc1NC(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C16H26N2O2/c1-15(2,16(3,4)17)14(19)18-13-9-7-6-8-12(13)10-11-20-5/h6-9H,10-11,17H2,1-5H3,(H,18,19)
InChIKeyQBNIWJYNRHUFNL-UHFFFAOYSA-N
XLogP2.58
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 102905071
N-[2-(2-methoxyethyl)phenyl]-2-methylpropanamide
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(2R)-2-amino-N-[2-(2-methoxyethyl)phenyl]-3-methylbutanamide
CID 102905806
3-[2-(2-methoxyethyl)phenyl]-1,1-dimethylurea
CID 102847778
ethyl 2-[[2-(2-methoxyethyl)phenyl]carbamoylamino]acetate
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CID 65264771
3-amino-N-(2-iodophenyl)-2,2,3-trimethylbutanamide
CID 65264488
(E)-4-amino-N-[2-(2-methoxyethyl)phenyl]but-2-enamide
CID 112746849
N-(2-aminoethyl)-N'-[2-(2-methoxyethyl)phenyl]oxamide
CID 102903270
5-[[2-(2-methoxyethyl)phenyl]carbamoyl]thiophene-2-carboxylic acid
CID 102907527
2-amino-N-[2-(2-methoxyethyl)phenyl]-2-thiophen-2-ylacetamide
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1-[2-(2-methoxyethyl)phenyl]-3-(3-methoxypropyl)thiourea
CID 102846832

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide (CID 102905725) is 3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide is COCCc1ccccc1NC(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide?
The InChIKey is QBNIWJYNRHUFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-15(2,16(3,4)17)14(19)18-13-9-7-6-8-12(13)10-11-20-5/h6-9H,10-11,17H2,1-5H3,(H,18,19).
What are the key properties of 3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide?
3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide has a molecular weight of 278.40 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methoxyethyl)phenyl]-2,2,3-trimethylbutanamide is sourced from PubChem (CID 102905725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).