N-butyl-4-(dimethylamino)-N-(2-methylpropyl)but-2-enamide

C14H28N2O — CID 91044553

IUPACN-butyl-4-(dimethylamino)-N-(2-methylpropyl)but-2-enamide
SMILESCCCCN(CC(C)C)C(=O)C=CCN(C)C
InChIInChI=1S/C14H28N2O/c1-6-7-11-16(12-13(2)3)14(17)9-8-10-15(4)5/h8-9,13H,6-7,10-12H2,1-5H3
InChIKeyHQYCDHUQTCTVHA-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.39
Rot. Bonds8

About N-butyl-4-(dimethylamino)-N-(2-methylpropyl)but-2-enamide

N-butyl-4-(dimethylamino)-N-(2-methylpropyl)but-2-enamide (PubChem CID 91044553) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-butyl-4-(dimethylamino)-N-(2-methylpropyl)but-2-enamide.

Molecular Properties

Compound NameN-butyl-4-(dimethylamino)-N-(2-methylpropyl)but-2-enamide
PubChem CID91044553
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-butyl-4-(dimethylamino)-N-(2-methylpropyl)but-2-enamide
SMILESCCCCN(CC(C)C)C(=O)C=CCN(C)C
InChIInChI=1S/C14H28N2O/c1-6-7-11-16(12-13(2)3)14(17)9-8-10-15(4)5/h8-9,13H,6-7,10-12H2,1-5H3
InChIKeyHQYCDHUQTCTVHA-UHFFFAOYSA-N
XLogP2.39
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibutylpent-2-enamide
CID 154390041
(Z)-4-(dimethylamino)-N-(1-iodoethyl)-N-(2-methylpropyl)but-2-enamide
CID 130272016
butyl(2-methylpropyl)carbamothioic S-acid
CID 88753781
methyl N-butyl-N-(2-methylpropyl)carbamate
CID 170640282
4-(dimethylamino)-N-ethyl-N-methylbut-2-enamide
CID 123403461
(E)-4-(dimethylamino)-N-(2,2-dimethylheptyl)-N-prop-2-enylbut-2-enamide
CID 146611805
(E)-4-(dimethylamino)-N-ethyl-N-(2-methyl-2-propylpentyl)but-2-enamide
CID 126513992
(E)-N,N,N',N'-tetrahexylbut-2-enediamide
CID 91739801
(E)-4-(dimethylamino)-N-pentadecan-8-ylbut-2-enamide
CID 139476661
(E)-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]but-2-enoic acid
CID 62343537
N,N-dibutyl-2-methylpentanamide
CID 2904869
N-(2-methoxyethyl)-N-(2-methylpropyl)but-2-enamide
CID 112725970

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(dimethylamino)-N-(2-methylpropyl)but-2-enamide?
The IUPAC name of N-butyl-4-(dimethylamino)-N-(2-methylpropyl)but-2-enamide (CID 91044553) is N-butyl-4-(dimethylamino)-N-(2-methylpropyl)but-2-enamide.
What is the SMILES notation for N-butyl-4-(dimethylamino)-N-(2-methylpropyl)but-2-enamide?
The canonical SMILES for N-butyl-4-(dimethylamino)-N-(2-methylpropyl)but-2-enamide is CCCCN(CC(C)C)C(=O)C=CCN(C)C.
What is the InChIKey of N-butyl-4-(dimethylamino)-N-(2-methylpropyl)but-2-enamide?
The InChIKey is HQYCDHUQTCTVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-6-7-11-16(12-13(2)3)14(17)9-8-10-15(4)5/h8-9,13H,6-7,10-12H2,1-5H3.
What are the key properties of N-butyl-4-(dimethylamino)-N-(2-methylpropyl)but-2-enamide?
N-butyl-4-(dimethylamino)-N-(2-methylpropyl)but-2-enamide has a molecular weight of 240.39 g/mol, XLogP of 2.39, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(dimethylamino)-N-(2-methylpropyl)but-2-enamide is sourced from PubChem (CID 91044553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).