2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-N-prop-2-ynylacetamide

C19H28N2O — CID 8996189

IUPAC2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN[C@@H](c1ccc(CC(C)C)cc1)C(C)C
InChIInChI=1S/C19H28N2O/c1-6-11-20-18(22)13-21-19(15(4)5)17-9-7-16(8-10-17)12-14(2)3/h1,7-10,14-15,19,21H,11-13H2,2-5H3,(H,20,22)/t19-/m1/s1
InChIKeyCODPYVVKRADAFE-LJQANCHMSA-N
MW300.45 g/mol
LogP2.92
Rot. Bonds8

About 2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-N-prop-2-ynylacetamide

2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-N-prop-2-ynylacetamide (PubChem CID 8996189) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-N-prop-2-ynylacetamide
PubChem CID8996189
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN[C@@H](c1ccc(CC(C)C)cc1)C(C)C
InChIInChI=1S/C19H28N2O/c1-6-11-20-18(22)13-21-19(15(4)5)17-9-7-16(8-10-17)12-14(2)3/h1,7-10,14-15,19,21H,11-13H2,2-5H3,(H,20,22)/t19-/m1/s1
InChIKeyCODPYVVKRADAFE-LJQANCHMSA-N
XLogP2.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetamidophenyl)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
CID 8995951
N,N-dimethyl-2-[[2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetamide
CID 78817279
N'-[2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]acetyl]furan-2-carbohydrazide
CID 8995988
2-[[(1S)-1-(4-ethylphenyl)-2-methylpropyl]amino]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 8992755
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylacetamide
CID 43400934
N-benzyl-2-[[(1R)-1-(4-ethylphenyl)-2-methylpropyl]amino]acetamide
CID 8991910
2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide
CID 75459806
2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]-N-[2-[[2-[[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]amino]acetyl]amino]ethyl]acetamide
CID 97305872
2-[[2-methyl-1-(4-propylphenyl)propyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 78818494
(2R)-2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide
CID 8996102
(2S)-2-[[(1S)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]propanamide
CID 8996099
N-[2-(ethylamino)-2-oxoethyl]-2-[[(1S)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9134101

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-N-prop-2-ynylacetamide?
The IUPAC name of 2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-N-prop-2-ynylacetamide (CID 8996189) is 2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-N-prop-2-ynylacetamide?
The canonical SMILES for 2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-N-prop-2-ynylacetamide is C#CCNC(=O)CN[C@@H](c1ccc(CC(C)C)cc1)C(C)C.
What is the InChIKey of 2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-N-prop-2-ynylacetamide?
The InChIKey is CODPYVVKRADAFE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H28N2O/c1-6-11-20-18(22)13-21-19(15(4)5)17-9-7-16(8-10-17)12-14(2)3/h1,7-10,14-15,19,21H,11-13H2,2-5H3,(H,20,22)/t19-/m1/s1.
What are the key properties of 2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-N-prop-2-ynylacetamide?
2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-N-prop-2-ynylacetamide has a molecular weight of 300.45 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-2-methyl-1-[4-(2-methylpropyl)phenyl]propyl]amino]-N-prop-2-ynylacetamide is sourced from PubChem (CID 8996189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).