N-[4-(dimethylamino)-4-phenylbutyl]-2-methylprop-2-enamide

C16H24N2O — CID 87329807

IUPACN-[4-(dimethylamino)-4-phenylbutyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCC(c1ccccc1)N(C)C
InChIInChI=1S/C16H24N2O/c1-13(2)16(19)17-12-8-11-15(18(3)4)14-9-6-5-7-10-14/h5-7,9-10,15H,1,8,11-12H2,2-4H3,(H,17,19)
InChIKeyVJZKFPINGKEPJW-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.76
Rot. Bonds7

About N-[4-(dimethylamino)-4-phenylbutyl]-2-methylprop-2-enamide

N-[4-(dimethylamino)-4-phenylbutyl]-2-methylprop-2-enamide (PubChem CID 87329807) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[4-(dimethylamino)-4-phenylbutyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-4-phenylbutyl]-2-methylprop-2-enamide
PubChem CID87329807
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[4-(dimethylamino)-4-phenylbutyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCC(c1ccccc1)N(C)C
InChIInChI=1S/C16H24N2O/c1-13(2)16(19)17-12-8-11-15(18(3)4)14-9-6-5-7-10-14/h5-7,9-10,15H,1,8,11-12H2,2-4H3,(H,17,19)
InChIKeyVJZKFPINGKEPJW-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[3-(N-methylanilino)propyl]prop-2-enamide
CID 154634175
2-methyl-N-[2-(N-phenylanilino)ethyl]prop-2-enamide
CID 68579167
N-[3-(benzenesulfonamido)propyl]-2-methylprop-2-enamide
CID 91692817
N,N-dimethyl-1-phenylheptan-1-amine
CID 67220027
N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride
CID 173276058
copper bis([1-carboxy-5-(2-methylprop-2-enoylamino)pentyl]azanide)
CID 59856363
N-dodecyl-2-methylprop-2-enamide;styrene
CID 174861897
2-(2-methylprop-2-enoylamino)-1-phenylethanesulfonic acid
CID 149433485
2-methyl-N-[3-[1-(1-phenylethyl)benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986880
(2S)-2-amino-6-(2-methylprop-2-enoylamino)hexanoic acid
CID 18391586
benzyl-diethyl-[3-(2-methylprop-2-enoylamino)propyl]azanium bromide
CID 155773846
(1S)-3-chloro-N,N-dimethyl-1-phenylpropan-1-amine
CID 141341786

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-4-phenylbutyl]-2-methylprop-2-enamide?
The IUPAC name of N-[4-(dimethylamino)-4-phenylbutyl]-2-methylprop-2-enamide (CID 87329807) is N-[4-(dimethylamino)-4-phenylbutyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[4-(dimethylamino)-4-phenylbutyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[4-(dimethylamino)-4-phenylbutyl]-2-methylprop-2-enamide is C=C(C)C(=O)NCCCC(c1ccccc1)N(C)C.
What is the InChIKey of N-[4-(dimethylamino)-4-phenylbutyl]-2-methylprop-2-enamide?
The InChIKey is VJZKFPINGKEPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-13(2)16(19)17-12-8-11-15(18(3)4)14-9-6-5-7-10-14/h5-7,9-10,15H,1,8,11-12H2,2-4H3,(H,17,19).
What are the key properties of N-[4-(dimethylamino)-4-phenylbutyl]-2-methylprop-2-enamide?
N-[4-(dimethylamino)-4-phenylbutyl]-2-methylprop-2-enamide has a molecular weight of 260.38 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-4-phenylbutyl]-2-methylprop-2-enamide is sourced from PubChem (CID 87329807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).