3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide

C13H20N2O — CID 115426736

IUPAC3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)C(C)(C)CN)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-10(11-7-5-4-6-8-11)15-12(16)13(2,3)9-14/h4-8,10H,9,14H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyCNKMTVARWJWVFE-JTQLQIEISA-N
MW220.32 g/mol
LogP1.85
Rot. Bonds4

About 3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide

3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 115426736) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
PubChem CID115426736
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
SMILESC[C@H](NC(=O)C(C)(C)CN)c1ccccc1
InChIInChI=1S/C13H20N2O/c1-10(11-7-5-4-6-8-11)15-12(16)13(2,3)9-14/h4-8,10H,9,14H2,1-3H3,(H,15,16)/t10-/m0/s1
InChIKeyCNKMTVARWJWVFE-JTQLQIEISA-N
XLogP1.85
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 63681272
3-amino-N-(2,2-dimethyl-1-phenylpropyl)-2,2-dimethylpropanamide
CID 115426224
3-amino-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 115426893
3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119685342
2-(aminomethyl)-2-ethyl-N-[(1S)-1-phenylethyl]butanamide
CID 115432548
2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 4252554
2,2-dimethyl-N-(1-phenylethyl)pent-4-enamide
CID 71378994
3-amino-2,2,3-trimethyl-N-(1-phenylethyl)butanamide
CID 65264623
2-bromo-2-methyl-N-(1-phenylethyl)propanamide
CID 82109308
3-amino-2,2-dimethyl-N-[phenyl(thiophen-2-yl)methyl]propanamide
CID 115426261
(2R)-2-amino-2-methyl-N-[(1R)-1-phenylethyl]pentanamide
CID 93340243
2,2-diphenyl-N-(1-phenylethyl)propanamide
CID 2939416

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of 3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide (CID 115426736) is 3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for 3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for 3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide is C[C@H](NC(=O)C(C)(C)CN)c1ccccc1.
What is the InChIKey of 3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is CNKMTVARWJWVFE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(11-7-5-4-6-8-11)15-12(16)13(2,3)9-14/h4-8,10H,9,14H2,1-3H3,(H,15,16)/t10-/m0/s1.
What are the key properties of 3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide?
3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 220.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 115426736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).