(2R)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide

C17H28N2O — CID 8996102

IUPAC(2R)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide
SMILESCC(C)Cc1ccc([C@H](N[C@H](C)C(N)=O)C(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-11(2)10-14-6-8-15(9-7-14)16(12(3)4)19-13(5)17(18)20/h6-9,11-13,16,19H,10H2,1-5H3,(H2,18,20)/t13-,16-/m1/s1
InChIKeyCHTLRMTXNCVBOM-CZUORRHYSA-N
MW276.42 g/mol
LogP3.05
Rot. Bonds7

About (2R)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide

(2R)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide (PubChem CID 8996102) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is (2R)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide
PubChem CID8996102
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name(2R)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide
SMILESCC(C)Cc1ccc([C@H](N[C@H](C)C(N)=O)C(C)C)cc1
InChIInChI=1S/C17H28N2O/c1-11(2)10-14-6-8-15(9-7-14)16(12(3)4)19-13(5)17(18)20/h6-9,11-13,16,19H,10H2,1-5H3,(H2,18,20)/t13-,16-/m1/s1
InChIKeyCHTLRMTXNCVBOM-CZUORRHYSA-N
XLogP3.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide
CID 8996099
(2S)-2-[[(1S)-2-methyl-1-phenylpropyl]amino]propanamide
CID 9132458
N,N-dimethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
CID 78817279
(2S)-N-carbamoyl-2-[[(1R)-2-methyl-1-(4-propylphenyl)propyl]amino]propanamide
CID 8970695
5-(carbamoylamino)-N-[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]pentanamide
CID 60601068
2-[4-(2-methylpropyl)phenyl]propanehydrazide
CID 2736674
3-methyl-2-[4-(2-methylpropyl)phenyl]butanoic acid
CID 45117186
4-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]cyclohexane-1-carboxylic acid
CID 122030055
2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-N-prop-2-ynylacetamide
CID 8996189
N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
CID 8995951
(2R)-2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-(methylcarbamoyl)propanamide
CID 8992288
3-methyl-2-[2-[4-(2-methylpropyl)phenyl]propanoylamino]pentanamide
CID 175979048

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide?
The IUPAC name of (2R)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide (CID 8996102) is (2R)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide.
What is the SMILES notation for (2R)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide?
The canonical SMILES for (2R)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide is CC(C)Cc1ccc([C@H](N[C@H](C)C(N)=O)C(C)C)cc1.
What is the InChIKey of (2R)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide?
The InChIKey is CHTLRMTXNCVBOM-CZUORRHYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-11(2)10-14-6-8-15(9-7-14)16(12(3)4)19-13(5)17(18)20/h6-9,11-13,16,19H,10H2,1-5H3,(H2,18,20)/t13-,16-/m1/s1.
What are the key properties of (2R)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide?
(2R)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide has a molecular weight of 276.42 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide is sourced from PubChem (CID 8996102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).