(2R)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-phenylpropanamide

C16H26N2O — CID 78985610

IUPAC(2R)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-phenylpropanamide
SMILESCC(C)CC(C)N(C)C(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C16H26N2O/c1-12(2)10-13(3)18(4)16(19)15(17)11-14-8-6-5-7-9-14/h5-9,12-13,15H,10-11,17H2,1-4H3/t13?,15-/m1/s1
InChIKeyMVSXLXRSMTXECS-AWKYBWMHSA-N
MW262.40 g/mol
LogP2.45
Rot. Bonds6

About (2R)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-phenylpropanamide

(2R)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-phenylpropanamide (PubChem CID 78985610) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (2R)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-phenylpropanamide
PubChem CID78985610
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(2R)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-phenylpropanamide
SMILESCC(C)CC(C)N(C)C(=O)[C@H](N)Cc1ccccc1
InChIInChI=1S/C16H26N2O/c1-12(2)10-13(3)18(4)16(19)15(17)11-14-8-6-5-7-9-14/h5-9,12-13,15H,10-11,17H2,1-4H3/t13?,15-/m1/s1
InChIKeyMVSXLXRSMTXECS-AWKYBWMHSA-N
XLogP2.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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-amino-3-(3,4-dihydroxyphenyl)-N-methyl-N-(4-methylpentan-2-yl)propanamide
CID 61165243
(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]-methylamino]-3-methylbutanoic acid
CID 86751008
(2R)-2-amino-N-(3,3-dimethylbutan-2-yl)-N-methyl-3-phenylpropanamide
CID 78985588
(2R)-2-amino-N-(1-cyclopropylethyl)-N-methyl-3-phenylpropanamide
CID 78985501
(2S)-2-amino-N-ethyl-N-methyl-3-phenylpropanamide;hydrochloride
CID 119314932
2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 43273815
(2S)-2-amino-N-ethyl-N-(2-methylpropyl)-3-phenylpropanamide
CID 55150348
2-amino-N-methyl-3-phenyl-N-propylpropanamide
CID 43271352
2-[[(2R)-2-amino-3-phenylpropanoyl]-butan-2-ylamino]acetic acid
CID 78985735
methyl (2S)-2-[bis[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoate
CID 67739621
2-[(2-amino-3-phenylpropanoyl)-(carboxymethyl)amino]-4-methylpentanoic acid
CID 118324918
4-methylpentan-2-yl (2S)-2-amino-3-phenylpropanoate
CID 61279025

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-phenylpropanamide (CID 78985610) is (2R)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-phenylpropanamide is CC(C)CC(C)N(C)C(=O)[C@H](N)Cc1ccccc1.
What is the InChIKey of (2R)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-phenylpropanamide?
The InChIKey is MVSXLXRSMTXECS-AWKYBWMHSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12(2)10-13(3)18(4)16(19)15(17)11-14-8-6-5-7-9-14/h5-9,12-13,15H,10-11,17H2,1-4H3/t13?,15-/m1/s1.
What are the key properties of (2R)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-phenylpropanamide?
(2R)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-phenylpropanamide has a molecular weight of 262.40 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-methyl-N-(4-methylpentan-2-yl)-3-phenylpropanamide is sourced from PubChem (CID 78985610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).