(2R)-2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-phenylpropanamide

C16H26N2O — CID 78985588

IUPAC(2R)-2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-phenylpropanamide
SMILESCC(N(C)C(=O)[C@H](N)Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H26N2O/c1-12(16(2,3)4)18(5)15(19)14(17)11-13-9-7-6-8-10-13/h6-10,12,14H,11,17H2,1-5H3/t12?,14-/m1/s1
InChIKeyHIPJLXIIPCLFFH-TYZXPVIJSA-N
MW262.40 g/mol
LogP2.45
Rot. Bonds4

About (2R)-2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-phenylpropanamide

(2R)-2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-phenylpropanamide (PubChem CID 78985588) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2R)-2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-phenylpropanamide
PubChem CID78985588
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2R)-2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-phenylpropanamide
SMILESCC(N(C)C(=O)[C@H](N)Cc1ccccc1)C(C)(C)C
InChIInChI=1S/C16H26N2O/c1-12(16(2,3)4)18(5)15(19)14(17)11-13-9-7-6-8-10-13/h6-10,12,14H,11,17H2,1-5H3/t12?,14-/m1/s1
InChIKeyHIPJLXIIPCLFFH-TYZXPVIJSA-N
XLogP2.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]-methylamino]-3-methylbutanoic acid
CID 86751008
(2R)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-phenylpropanamide
CID 78985610
(2R)-2-amino-N-(1-cyclopropylethyl)-N-methyl-3-phenylpropanamide
CID 78985501
2-amino-N-(2-hydroxy-2-methylpropyl)-N-methyl-3-phenylpropanamide
CID 79379287
benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate
CID 130159197
tert-butyl 2-[[(2S)-2-amino-3-phenylpropanoyl]-hydroxyamino]-3-methylbutanoate
CID 118536573
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
methyl (2S)-2-[[(2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]-methylamino]-3-methylbutanoyl]amino]propanoate
CID 175796372
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
tert-butyl N-amino-N-[(2R)-2-amino-3-phenylpropanoyl]carbamate
CID 154179314
2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid
CID 78985735
(2R)-2-amino-N-(3-hydroxybutyl)-N-methyl-3-phenylpropanamide
CID 103797277

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-phenylpropanamide (CID 78985588) is (2R)-2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-phenylpropanamide is CC(N(C)C(=O)[C@H](N)Cc1ccccc1)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-phenylpropanamide?
The InChIKey is HIPJLXIIPCLFFH-TYZXPVIJSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(16(2,3)4)18(5)15(19)14(17)11-13-9-7-6-8-10-13/h6-10,12,14H,11,17H2,1-5H3/t12?,14-/m1/s1.
What are the key properties of (2R)-2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-phenylpropanamide?
(2R)-2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-phenylpropanamide has a molecular weight of 262.40 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-phenylpropanamide is sourced from PubChem (CID 78985588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).