N,N-bis(1-hydroxypropan-2-yl)prop-2-enamide

C9H17NO3 — CID 87783665

IUPACN,N-bis(1-hydroxypropan-2-yl)prop-2-enamide
SMILESC=CC(=O)N(C(C)CO)C(C)CO
InChIInChI=1S/C9H17NO3/c1-4-9(13)10(7(2)5-11)8(3)6-12/h4,7-8,11-12H,1,5-6H2,2-3H3
InChIKeyTYGHONWVSISCEG-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.24
Rot. Bonds5

About N,N-bis(1-hydroxypropan-2-yl)prop-2-enamide

N,N-bis(1-hydroxypropan-2-yl)prop-2-enamide (PubChem CID 87783665) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N,N-bis(1-hydroxypropan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(1-hydroxypropan-2-yl)prop-2-enamide
PubChem CID87783665
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN,N-bis(1-hydroxypropan-2-yl)prop-2-enamide
SMILESC=CC(=O)N(C(C)CO)C(C)CO
InChIInChI=1S/C9H17NO3/c1-4-9(13)10(7(2)5-11)8(3)6-12/h4,7-8,11-12H,1,5-6H2,2-3H3
InChIKeyTYGHONWVSISCEG-UHFFFAOYSA-N
XLogP-0.24
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-methylprop-2-enamide
CID 10129965
2-Propenamide, N,N-bis(2-hydroxyethyl)-
CID 11116327
N-allyl-N-(2-hydroxyethyl)acrylamide
CID 87249562
acryl N-hydroxyethyl acrylamide
CID 87520585
N-[(2S)-1-hydroxybutan-2-yl]-N-prop-2-enylacetamide
CID 135084116
N-(1,3-dihydroxypropan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 9989734
N-(2-hydroxyethyl)-N-(hydroxymethyl)prop-2-enamide
CID 18792569
N-butan-2-yl-N-(hydroxymethyl)prop-2-enamide
CID 19006733
N,N-bis(2-hydroxypropyl)prop-2-enamide
CID 19437431
N-(Hydroxymethyl)-N-(propan-2-yl)prop-2-enamide
CID 20255447
N-(1-hydroxybutan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 20255449
N,N-bis(3-hydroxypropyl)prop-2-enamide
CID 20481448

Frequently Asked Questions

What is the IUPAC name of N,N-bis(1-hydroxypropan-2-yl)prop-2-enamide?
The IUPAC name of N,N-bis(1-hydroxypropan-2-yl)prop-2-enamide (CID 87783665) is N,N-bis(1-hydroxypropan-2-yl)prop-2-enamide.
What is the SMILES notation for N,N-bis(1-hydroxypropan-2-yl)prop-2-enamide?
The canonical SMILES for N,N-bis(1-hydroxypropan-2-yl)prop-2-enamide is C=CC(=O)N(C(C)CO)C(C)CO.
What is the InChIKey of N,N-bis(1-hydroxypropan-2-yl)prop-2-enamide?
The InChIKey is TYGHONWVSISCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-9(13)10(7(2)5-11)8(3)6-12/h4,7-8,11-12H,1,5-6H2,2-3H3.
What are the key properties of N,N-bis(1-hydroxypropan-2-yl)prop-2-enamide?
N,N-bis(1-hydroxypropan-2-yl)prop-2-enamide has a molecular weight of 187.24 g/mol, XLogP of -0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1-hydroxypropan-2-yl)prop-2-enamide is sourced from PubChem (CID 87783665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).