N-butyl-N-(2-hydroxypropyl)-2-methylprop-2-enamide

C11H21NO2 — CID 174975704

IUPACN-butyl-N-(2-hydroxypropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCC)CC(C)O
InChIInChI=1S/C11H21NO2/c1-5-6-7-12(8-10(4)13)11(14)9(2)3/h10,13H,2,5-8H2,1,3-4H3
InChIKeyBVPKAJAKSXKDHN-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.57
Rot. Bonds6

About N-butyl-N-(2-hydroxypropyl)-2-methylprop-2-enamide

N-butyl-N-(2-hydroxypropyl)-2-methylprop-2-enamide (PubChem CID 174975704) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxypropyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxypropyl)-2-methylprop-2-enamide
PubChem CID174975704
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-butyl-N-(2-hydroxypropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCC)CC(C)O
InChIInChI=1S/C11H21NO2/c1-5-6-7-12(8-10(4)13)11(14)9(2)3/h10,13H,2,5-8H2,1,3-4H3
InChIKeyBVPKAJAKSXKDHN-UHFFFAOYSA-N
XLogP1.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-methyl-N-pentylprop-2-enamide
CID 87098831
N-butyl-2-methyl-N-octylprop-2-enamide
CID 20743986
N-butyl-N-(1-hydroxybutyl)-2-methylprop-2-enamide
CID 140828281
N',N'-dibutyl-N,2-dimethylprop-2-enehydrazide
CID 87504496
N-(2-hydroxypropyl)-2-methylprop-2-enehydrazide
CID 174628871
2-methyl-N-(5-methyl-4-oxohex-5-enyl)-N-[2-[2-[(5-methyl-4-oxohex-5-enyl)-(2-methylprop-2-enoyl)amino]ethyl-(2-methylprop-2-enoyl)amino]ethyl]prop-2-enamide
CID 160771309
N-(methoxymethyl)-2-methyl-N-octylprop-2-enamide
CID 139967484
N,2-dimethyl-N-tetracosylprop-2-enamide
CID 87262023
N,N-bis(2-hydroxypropyl)docosanamide
CID 102118847
N-butyl-N-(ethoxymethyl)-2-methylprop-2-enamide;prop-2-enamide
CID 174821718
N-butyl-N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecyl)-2-methylprop-2-enamide
CID 21020754
N-butyl-2-methyl-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)prop-2-enamide
CID 59165186

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxypropyl)-2-methylprop-2-enamide?
The IUPAC name of N-butyl-N-(2-hydroxypropyl)-2-methylprop-2-enamide (CID 174975704) is N-butyl-N-(2-hydroxypropyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-butyl-N-(2-hydroxypropyl)-2-methylprop-2-enamide?
The canonical SMILES for N-butyl-N-(2-hydroxypropyl)-2-methylprop-2-enamide is C=C(C)C(=O)N(CCCC)CC(C)O.
What is the InChIKey of N-butyl-N-(2-hydroxypropyl)-2-methylprop-2-enamide?
The InChIKey is BVPKAJAKSXKDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-6-7-12(8-10(4)13)11(14)9(2)3/h10,13H,2,5-8H2,1,3-4H3.
What are the key properties of N-butyl-N-(2-hydroxypropyl)-2-methylprop-2-enamide?
N-butyl-N-(2-hydroxypropyl)-2-methylprop-2-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxypropyl)-2-methylprop-2-enamide is sourced from PubChem (CID 174975704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).