N-[1-(diethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide

C13H26N2O — CID 139776232

IUPACN-[1-(diethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(N(CC)CC)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-8-15(9-2)12(13(5,6)7)14-11(16)10(3)4/h12H,3,8-9H2,1-2,4-7H3,(H,14,16)
InChIKeyBQDSREZYVIKQMN-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.39
Rot. Bonds5

About N-[1-(diethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide

N-[1-(diethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide (PubChem CID 139776232) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-[1-(diethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-[1-(diethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide
PubChem CID139776232
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-[1-(diethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(N(CC)CC)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-8-15(9-2)12(13(5,6)7)14-11(16)10(3)4/h12H,3,8-9H2,1-2,4-7H3,(H,14,16)
InChIKeyBQDSREZYVIKQMN-UHFFFAOYSA-N
XLogP2.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[1-(diethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-chloropropyl)-2-methylprop-2-enamide
CID 23228242
2-methyl-N-[(2R,3S)-3-(2-methylprop-2-enoylamino)butan-2-yl]prop-2-enamide
CID 167017883
N-(1,2-dihydroxyethyl)-2-methylprop-2-enamide
CID 88801162
2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(diethylamino)ethyl]propanamide
CID 2252471
potassium 1-(2-methylprop-2-enoylamino)propane-1-sulfonate
CID 87553000
N-(1-tert-butylsulfanylpropan-2-yl)-2-methylprop-2-enamide
CID 89088589
N-[1-[bis(prop-2-enyl)amino]prop-2-enyl]-2-methylprop-2-enamide
CID 87118442
ethyl 2-(2-methylprop-2-enoylamino)propanoate
CID 86135895
(2R)-2-(2-methylprop-2-enoylamino)pentanoic acid
CID 102242630
2-methyl-N-[9-(2-methylprop-2-enoylamino)dodecan-4-yl]prop-2-enamide
CID 175297760
N-[2-[ethyl(methyl)amino]ethyl]-2-methylprop-2-enamide
CID 18414873
2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide
CID 134338956

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide?
The IUPAC name of N-[1-(diethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide (CID 139776232) is N-[1-(diethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide.
What is the SMILES notation for N-[1-(diethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide?
The canonical SMILES for N-[1-(diethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide is C=C(C)C(=O)NC(N(CC)CC)C(C)(C)C.
What is the InChIKey of N-[1-(diethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide?
The InChIKey is BQDSREZYVIKQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-8-15(9-2)12(13(5,6)7)14-11(16)10(3)4/h12H,3,8-9H2,1-2,4-7H3,(H,14,16).
What are the key properties of N-[1-(diethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide?
N-[1-(diethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide has a molecular weight of 226.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)-2,2-dimethylpropyl]-2-methylprop-2-enamide is sourced from PubChem (CID 139776232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).