N,N-bis(1,1-dihydroxyethyl)-2-methylprop-2-enamide

C8H15NO5 — CID 153499824

IUPACN,N-bis(1,1-dihydroxyethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(C(C)(O)O)C(C)(O)O
InChIInChI=1S/C8H15NO5/c1-5(2)6(10)9(7(3,11)12)8(4,13)14/h11-14H,1H2,2-4H3
InChIKeySUWCROXRDAYSTP-UHFFFAOYSA-N
MW205.21 g/mol
LogP-1.29
Rot. Bonds3

About N,N-bis(1,1-dihydroxyethyl)-2-methylprop-2-enamide

N,N-bis(1,1-dihydroxyethyl)-2-methylprop-2-enamide (PubChem CID 153499824) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is N,N-bis(1,1-dihydroxyethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN,N-bis(1,1-dihydroxyethyl)-2-methylprop-2-enamide
PubChem CID153499824
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC NameN,N-bis(1,1-dihydroxyethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(C(C)(O)O)C(C)(O)O
InChIInChI=1S/C8H15NO5/c1-5(2)6(10)9(7(3,11)12)8(4,13)14/h11-14H,1H2,2-4H3
InChIKeySUWCROXRDAYSTP-UHFFFAOYSA-N
XLogP-1.29
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

2-methyl-N,N-bis(2,4,4-trimethylpentan-2-yl)prop-2-enamide
CID 87205211
azane;N,N,2-trimethylprop-2-enamide
CID 162327856
N,N-diacetyl-2-methylprop-2-enamide
CID 22336365
N-tert-butyl-2-methyl-N-propylprop-2-enamide
CID 157254110
N,2-dimethyl-N-(2,4,4-trimethylpentan-2-yl)prop-2-enamide
CID 87313202
N-tert-butyl-N-(3,3-dimethylbutyl)-2-methylprop-2-enamide
CID 167496329
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
N,2-dimethyl-N-(3-methylbuta-1,3-dien-2-yl)prop-2-enamide
CID 171556430
2-methyl-N,N-bis(1,1,2,2,3,3,4,4,5,5,6,6,8,8,8-pentadecafluorooctyl)prop-2-enamide
CID 139789964
N',N',2-trimethyl-N-prop-1-en-2-ylprop-2-enehydrazide
CID 15525104
N-(iodomethyl)-N,2-dimethylprop-2-enamide
CID 146497620
N-(4-amino-4-methylpentyl)-N,2-dimethylprop-2-enamide
CID 138739134

Frequently Asked Questions

What is the IUPAC name of N,N-bis(1,1-dihydroxyethyl)-2-methylprop-2-enamide?
The IUPAC name of N,N-bis(1,1-dihydroxyethyl)-2-methylprop-2-enamide (CID 153499824) is N,N-bis(1,1-dihydroxyethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N,N-bis(1,1-dihydroxyethyl)-2-methylprop-2-enamide?
The canonical SMILES for N,N-bis(1,1-dihydroxyethyl)-2-methylprop-2-enamide is C=C(C)C(=O)N(C(C)(O)O)C(C)(O)O.
What is the InChIKey of N,N-bis(1,1-dihydroxyethyl)-2-methylprop-2-enamide?
The InChIKey is SUWCROXRDAYSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-5(2)6(10)9(7(3,11)12)8(4,13)14/h11-14H,1H2,2-4H3.
What are the key properties of N,N-bis(1,1-dihydroxyethyl)-2-methylprop-2-enamide?
N,N-bis(1,1-dihydroxyethyl)-2-methylprop-2-enamide has a molecular weight of 205.21 g/mol, XLogP of -1.29, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1,1-dihydroxyethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 153499824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).