N-[1-(dimethylamino)-1-phenylpropan-2-yl]-2,2-dimethylpent-4-ynamide

C18H26N2O — CID 119036959

IUPACN-[1-(dimethylamino)-1-phenylpropan-2-yl]-2,2-dimethylpent-4-ynamide
SMILESC#CCC(C)(C)C(=O)NC(C)C(c1ccccc1)N(C)C
InChIInChI=1S/C18H26N2O/c1-7-13-18(3,4)17(21)19-14(2)16(20(5)6)15-11-9-8-10-12-15/h1,8-12,14,16H,13H2,2-6H3,(H,19,21)
InChIKeyPJSIIFKBWFXFBG-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.84
Rot. Bonds6

About N-[1-(dimethylamino)-1-phenylpropan-2-yl]-2,2-dimethylpent-4-ynamide

N-[1-(dimethylamino)-1-phenylpropan-2-yl]-2,2-dimethylpent-4-ynamide (PubChem CID 119036959) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[1-(dimethylamino)-1-phenylpropan-2-yl]-2,2-dimethylpent-4-ynamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-1-phenylpropan-2-yl]-2,2-dimethylpent-4-ynamide
PubChem CID119036959
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[1-(dimethylamino)-1-phenylpropan-2-yl]-2,2-dimethylpent-4-ynamide
SMILESC#CCC(C)(C)C(=O)NC(C)C(c1ccccc1)N(C)C
InChIInChI=1S/C18H26N2O/c1-7-13-18(3,4)17(21)19-14(2)16(20(5)6)15-11-9-8-10-12-15/h1,8-12,14,16H,13H2,2-6H3,(H,19,21)
InChIKeyPJSIIFKBWFXFBG-UHFFFAOYSA-N
XLogP2.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2,2-trimethyl-N-[(1R)-1-phenylethyl]pent-4-ynamide
CID 99837862
N-[(1S,2R)-1-(dimethylamino)-1-phenylpropan-2-yl]benzamide
CID 51696070
3-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]benzoic acid
CID 122032989
N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-3-methylsulfanylthiophene-2-carboxamide
CID 124619228
3-chloro-2,2-dimethyl-N-(1-phenylethyl)propanamide
CID 63681272
3-amino-2,2-dimethyl-N-[(1S)-1-phenylethyl]propanamide
CID 115426736
N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-5-ethyl-4-methylfuran-2-carboxamide
CID 99785478
N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-2,2-dimethylpropanamide
CID 15210216
tert-butyl N-[(1S)-1-(dimethylamino)-3-oxo-1-phenylpropan-2-yl]carbamate
CID 174369964
methyl 5-[[[1-(dimethylamino)-1-phenylpropan-2-yl]amino]methyl]-1,2-oxazole-3-carboxylate
CID 126828235
1-(dimethylamino)-2-methyl-1-phenylpentan-3-one;hydrochloride
CID 172694063
2-phenyl-N-prop-2-ynylpropanamide
CID 104916558

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-1-phenylpropan-2-yl]-2,2-dimethylpent-4-ynamide?
The IUPAC name of N-[1-(dimethylamino)-1-phenylpropan-2-yl]-2,2-dimethylpent-4-ynamide (CID 119036959) is N-[1-(dimethylamino)-1-phenylpropan-2-yl]-2,2-dimethylpent-4-ynamide.
What is the SMILES notation for N-[1-(dimethylamino)-1-phenylpropan-2-yl]-2,2-dimethylpent-4-ynamide?
The canonical SMILES for N-[1-(dimethylamino)-1-phenylpropan-2-yl]-2,2-dimethylpent-4-ynamide is C#CCC(C)(C)C(=O)NC(C)C(c1ccccc1)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)-1-phenylpropan-2-yl]-2,2-dimethylpent-4-ynamide?
The InChIKey is PJSIIFKBWFXFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-7-13-18(3,4)17(21)19-14(2)16(20(5)6)15-11-9-8-10-12-15/h1,8-12,14,16H,13H2,2-6H3,(H,19,21).
What are the key properties of N-[1-(dimethylamino)-1-phenylpropan-2-yl]-2,2-dimethylpent-4-ynamide?
N-[1-(dimethylamino)-1-phenylpropan-2-yl]-2,2-dimethylpent-4-ynamide has a molecular weight of 286.42 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-1-phenylpropan-2-yl]-2,2-dimethylpent-4-ynamide is sourced from PubChem (CID 119036959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).