N-butyl-N-(2-hydroxyethyl)-2-methylpent-2-enamide

C12H23NO2 — CID 61217313

IUPACN-butyl-N-(2-hydroxyethyl)-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)N(CCO)CCCC
InChIInChI=1S/C12H23NO2/c1-4-6-8-13(9-10-14)12(15)11(3)7-5-2/h7,14H,4-6,8-10H2,1-3H3
InChIKeyKMPUJUVDZBJHKQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.96
Rot. Bonds7

About N-butyl-N-(2-hydroxyethyl)-2-methylpent-2-enamide

N-butyl-N-(2-hydroxyethyl)-2-methylpent-2-enamide (PubChem CID 61217313) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-2-methylpent-2-enamide
PubChem CID61217313
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-butyl-N-(2-hydroxyethyl)-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)N(CCO)CCCC
InChIInChI=1S/C12H23NO2/c1-4-6-8-13(9-10-14)12(15)11(3)7-5-2/h7,14H,4-6,8-10H2,1-3H3
InChIKeyKMPUJUVDZBJHKQ-UHFFFAOYSA-N
XLogP1.96
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.96
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-N',N'-bis(2-hydroxyethyl)-N-propyloxamide
CID 108509852
6-amino-N,N-dibutyl-2-methylhex-2-enamide
CID 172998500
7-amino-N,N-dibutyl-2-methylhept-2-enamide
CID 173212565
2-[[(E)-2-methylpent-2-enoyl]-propylamino]acetic acid
CID 61012071
(Z)-N,N,2-trimethylpent-2-enamide
CID 23256688
(E)-2-methyl-4-(methylamino)-N,N-dipropylbut-2-enamide
CID 143023885
2-[ethyl-[(E)-2-methylpent-2-enoyl]amino]acetic acid
CID 61021093
N-butyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513897
N-butyl-2-methyl-N-pentylprop-2-enamide
CID 87098831
N',N'-dibutyl-N-(2-hydroxyethyl)oxamide
CID 108524538
N-butyl-N-(2-hydroxyethyl)-2-methoxyacetamide
CID 20697100
N,N,N',N'-tetrahexyloxamide
CID 6424911

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-2-methylpent-2-enamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-2-methylpent-2-enamide (CID 61217313) is N-butyl-N-(2-hydroxyethyl)-2-methylpent-2-enamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-2-methylpent-2-enamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-2-methylpent-2-enamide is CCC=C(C)C(=O)N(CCO)CCCC.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-2-methylpent-2-enamide?
The InChIKey is KMPUJUVDZBJHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-6-8-13(9-10-14)12(15)11(3)7-5-2/h7,14H,4-6,8-10H2,1-3H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-2-methylpent-2-enamide?
N-butyl-N-(2-hydroxyethyl)-2-methylpent-2-enamide has a molecular weight of 213.32 g/mol, XLogP of 1.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-2-methylpent-2-enamide is sourced from PubChem (CID 61217313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).