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

C9H17NO2 — CID 19767345

IUPACN-butyl-N-(hydroxymethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CO)CCCC
InChIInChI=1S/C9H17NO2/c1-4-5-6-10(7-11)9(12)8(2)3/h11H,2,4-7H2,1,3H3
InChIKeyIUIGGMIZFFNIQW-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.14
Rot. Bonds5

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

N-butyl-N-(hydroxymethyl)-2-methylprop-2-enamide (PubChem CID 19767345) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is N-butyl-N-(hydroxymethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-butyl-N-(hydroxymethyl)-2-methylprop-2-enamide
PubChem CID19767345
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC NameN-butyl-N-(hydroxymethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CO)CCCC
InChIInChI=1S/C9H17NO2/c1-4-5-6-10(7-11)9(12)8(2)3/h11H,2,4-7H2,1,3H3
InChIKeyIUIGGMIZFFNIQW-UHFFFAOYSA-N
XLogP1.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.14
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'}

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Related Compounds

N,N-DI-N-Butylmethacrylamide
CID 9990299
2-Propenamide, N,N-bis(2-hydroxyethyl)-2-methyl-
CID 3084889
2-methyl-N,N-dipropylprop-2-enamide
CID 10374838
N-(2-hydroxyethyl)-N,2-dimethylprop-2-enamide
CID 13531438
N,N-bis(hydroxymethyl)-2-methylprop-2-enamide
CID 13710293
N-(2-cyanoethyl)-N-(hydroxymethyl)-2-methylprop-2-enamide
CID 15685480
N-ethyl-2-methyl-N-propylprop-2-enamide
CID 17780923
N-(hydroxymethyl)-2-methyl-N-(2-methylpropyl)prop-2-enamide
CID 17936728
N-(1-hydroxyethyl)-N-(3-hydroxypropyl)-2-methylprop-2-enamide
CID 18413449
N-(2-hydroxyethyl)-N-(hydroxymethyl)-2-methylprop-2-enamide
CID 18792570
N-ethyl-N-(hydroxymethyl)-2-methylprop-2-enamide
CID 18982596
N-(hydroxymethyl)-N-(methoxymethyl)-2-methylprop-2-enamide
CID 19038709

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(hydroxymethyl)-2-methylprop-2-enamide?
The IUPAC name of N-butyl-N-(hydroxymethyl)-2-methylprop-2-enamide (CID 19767345) is N-butyl-N-(hydroxymethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-butyl-N-(hydroxymethyl)-2-methylprop-2-enamide?
The canonical SMILES for N-butyl-N-(hydroxymethyl)-2-methylprop-2-enamide is C=C(C)C(=O)N(CO)CCCC.
What is the InChIKey of N-butyl-N-(hydroxymethyl)-2-methylprop-2-enamide?
The InChIKey is IUIGGMIZFFNIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-5-6-10(7-11)9(12)8(2)3/h11H,2,4-7H2,1,3H3.
What are the key properties of N-butyl-N-(hydroxymethyl)-2-methylprop-2-enamide?
N-butyl-N-(hydroxymethyl)-2-methylprop-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(hydroxymethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 19767345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).