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

C14H22N2O2 — CID 115426893

IUPAC3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
SMILESCOc1ccc([C@@H](C)NC(=O)C(C)(C)CN)cc1
InChIInChI=1S/C14H22N2O2/c1-10(16-13(17)14(2,3)9-15)11-5-7-12(18-4)8-6-11/h5-8,10H,9,15H2,1-4H3,(H,16,17)/t10-/m1/s1
InChIKeyXGQMGXNMEDQAEY-SNVBAGLBSA-N
MW250.34 g/mol
LogP1.86
Rot. Bonds5

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

3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide (PubChem CID 115426893) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
PubChem CID115426893
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
SMILESCOc1ccc([C@@H](C)NC(=O)C(C)(C)CN)cc1
InChIInChI=1S/C14H22N2O2/c1-10(16-13(17)14(2,3)9-15)11-5-7-12(18-4)8-6-11/h5-8,10H,9,15H2,1-4H3,(H,16,17)/t10-/m1/s1
InChIKeyXGQMGXNMEDQAEY-SNVBAGLBSA-N
XLogP1.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-[1-(4-methoxyphenyl)ethyl]-2-methylbutanamide
CID 114290803
N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 17330111
3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 115426736
3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2,3-trimethylbutanamide
CID 81363369
3-amino-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 81489289
2-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81364080
3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methylpropanamide
CID 81363654
6-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4,4-dimethylhexanamide
CID 81368822
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81364090
2-(4-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 94843836
3-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 81363998
2-bromo-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 81370298

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide (CID 115426893) is 3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide is COc1ccc([C@@H](C)NC(=O)C(C)(C)CN)cc1.
What is the InChIKey of 3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide?
The InChIKey is XGQMGXNMEDQAEY-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(16-13(17)14(2,3)9-15)11-5-7-12(18-4)8-6-11/h5-8,10H,9,15H2,1-4H3,(H,16,17)/t10-/m1/s1.
What are the key properties of 3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide?
3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.86, 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-dimethylpropanamide is sourced from PubChem (CID 115426893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).