3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide

C16H26N2O2 — CID 81363369

IUPAC3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide
SMILESCOc1ccc([C@@H](C)NC(=O)C(C)(C)C(C)(C)N)cc1
InChIInChI=1S/C16H26N2O2/c1-11(12-7-9-13(20-6)10-8-12)18-14(19)15(2,3)16(4,5)17/h7-11H,17H2,1-6H3,(H,18,19)/t11-/m1/s1
InChIKeyPEICRWLUTZHJPL-LLVKDONJSA-N
MW278.40 g/mol
LogP2.64
Rot. Bonds5

About 3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide

3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide (PubChem CID 81363369) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide
PubChem CID81363369
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide
SMILESCOc1ccc([C@@H](C)NC(=O)C(C)(C)C(C)(C)N)cc1
InChIInChI=1S/C16H26N2O2/c1-11(12-7-9-13(20-6)10-8-12)18-14(19)15(2,3)16(4,5)17/h7-11H,17H2,1-6H3,(H,18,19)/t11-/m1/s1
InChIKeyPEICRWLUTZHJPL-LLVKDONJSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 17330111
3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide
CID 65264623
3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 115426893
3-amino-2,2,3-trimethyl-N-[(1S)-1-pyridin-4-ylethyl]butanamide
CID 81410592
2-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]-2-methylbutanamide
CID 114290803
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
2-amino-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]propanamide
CID 61264808
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
2-bromo-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-methylbutanamide
CID 81371482
1-amino-N-[1-(4-methoxyphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119706519
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide (CID 81363369) is 3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide is COc1ccc([C@@H](C)NC(=O)C(C)(C)C(C)(C)N)cc1.
What is the InChIKey of 3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide?
The InChIKey is PEICRWLUTZHJPL-LLVKDONJSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-11(12-7-9-13(20-6)10-8-12)18-14(19)15(2,3)16(4,5)17/h7-11H,17H2,1-6H3,(H,18,19)/t11-/m1/s1.
What are the key properties of 3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide?
3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide has a molecular weight of 278.40 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide is sourced from PubChem (CID 81363369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).