N-butan-2-yl-2-(dimethylamino)-2-phenylacetamide

C14H22N2O — CID 110406838

IUPACN-butan-2-yl-2-(dimethylamino)-2-phenylacetamide
SMILESCCC(C)NC(=O)C(c1ccccc1)N(C)C
InChIInChI=1S/C14H22N2O/c1-5-11(2)15-14(17)13(16(3)4)12-9-7-6-8-10-12/h6-11,13H,5H2,1-4H3,(H,15,17)
InChIKeyDJAXFRKLAUIJOW-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.20
Rot. Bonds5

About N-butan-2-yl-2-(dimethylamino)-2-phenylacetamide

N-butan-2-yl-2-(dimethylamino)-2-phenylacetamide (PubChem CID 110406838) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-butan-2-yl-2-(dimethylamino)-2-phenylacetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(dimethylamino)-2-phenylacetamide
PubChem CID110406838
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-butan-2-yl-2-(dimethylamino)-2-phenylacetamide
SMILESCCC(C)NC(=O)C(c1ccccc1)N(C)C
InChIInChI=1S/C14H22N2O/c1-5-11(2)15-14(17)13(16(3)4)12-9-7-6-8-10-12/h6-11,13H,5H2,1-4H3,(H,15,17)
InChIKeyDJAXFRKLAUIJOW-UHFFFAOYSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(dimethylamino)-2-phenyl-N-(1-phenylethyl)acetamide
CID 47839311
N-butan-2-yl-2,2-diphenylacetamide
CID 3094060
N-butan-2-yl-2-hydroxy-2-phenylacetamide
CID 60674876
N-[1-[benzyl(propan-2-yl)amino]propan-2-yl]-2-(dimethylamino)-2-phenylacetamide
CID 110624517
N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-2-(dimethylamino)-2-phenylacetamide
CID 110624489
2-[[2-(dimethylamino)-2-phenylacetyl]amino]-2-phenyl-N-propan-2-ylacetamide
CID 110626026
(2R)-2-(dimethylamino)-2-phenyl-N-[(2R)-2-phenylpropyl]acetamide
CID 99645937
3-amino-N-butan-2-yl-2-methyl-3-phenylpropanamide;hydrochloride
CID 119669598
N-[(2S)-1-aminopropan-2-yl]-2-(diethylamino)-2-phenylacetamide;dihydrochloride
CID 120506976
2-[[1-(butan-2-ylamino)-1-oxopropan-2-yl]amino]-2-phenylacetic acid
CID 62109350
(2S)-N-[(2S)-butan-2-yl]-2-[(2,2-diphenylacetyl)amino]-3-methylbutanamide
CID 126008908
(2R)-2-(dimethylamino)-N-[2-[di(propan-2-yl)amino]ethyl]-2-phenylacetamide
CID 97017597

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(dimethylamino)-2-phenylacetamide?
The IUPAC name of N-butan-2-yl-2-(dimethylamino)-2-phenylacetamide (CID 110406838) is N-butan-2-yl-2-(dimethylamino)-2-phenylacetamide.
What is the SMILES notation for N-butan-2-yl-2-(dimethylamino)-2-phenylacetamide?
The canonical SMILES for N-butan-2-yl-2-(dimethylamino)-2-phenylacetamide is CCC(C)NC(=O)C(c1ccccc1)N(C)C.
What is the InChIKey of N-butan-2-yl-2-(dimethylamino)-2-phenylacetamide?
The InChIKey is DJAXFRKLAUIJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-11(2)15-14(17)13(16(3)4)12-9-7-6-8-10-12/h6-11,13H,5H2,1-4H3,(H,15,17).
What are the key properties of N-butan-2-yl-2-(dimethylamino)-2-phenylacetamide?
N-butan-2-yl-2-(dimethylamino)-2-phenylacetamide has a molecular weight of 234.34 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(dimethylamino)-2-phenylacetamide is sourced from PubChem (CID 110406838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).