N,N-bis(1-hydroxypropyl)prop-2-enamide

C9H17NO3 — CID 22664999

IUPACN,N-bis(1-hydroxypropyl)prop-2-enamide
SMILESC=CC(=O)N(C(O)CC)C(O)CC
InChIInChI=1S/C9H17NO3/c1-4-7(11)10(8(12)5-2)9(13)6-3/h4,8-9,12-13H,1,5-6H2,2-3H3
InChIKeyULQVPUCYBOPYHX-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.46
Rot. Bonds5

About N,N-bis(1-hydroxypropyl)prop-2-enamide

N,N-bis(1-hydroxypropyl)prop-2-enamide (PubChem CID 22664999) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N,N-bis(1-hydroxypropyl)prop-2-enamide.

Molecular Properties

Compound NameN,N-bis(1-hydroxypropyl)prop-2-enamide
PubChem CID22664999
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN,N-bis(1-hydroxypropyl)prop-2-enamide
SMILESC=CC(=O)N(C(O)CC)C(O)CC
InChIInChI=1S/C9H17NO3/c1-4-7(11)10(8(12)5-2)9(13)6-3/h4,8-9,12-13H,1,5-6H2,2-3H3
InChIKeyULQVPUCYBOPYHX-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of N,N-bis(1-hydroxypropyl)prop-2-enamide?
The IUPAC name of N,N-bis(1-hydroxypropyl)prop-2-enamide (CID 22664999) is N,N-bis(1-hydroxypropyl)prop-2-enamide.
What is the SMILES notation for N,N-bis(1-hydroxypropyl)prop-2-enamide?
The canonical SMILES for N,N-bis(1-hydroxypropyl)prop-2-enamide is C=CC(=O)N(C(O)CC)C(O)CC.
What is the InChIKey of N,N-bis(1-hydroxypropyl)prop-2-enamide?
The InChIKey is ULQVPUCYBOPYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-7(11)10(8(12)5-2)9(13)6-3/h4,8-9,12-13H,1,5-6H2,2-3H3.
What are the key properties of N,N-bis(1-hydroxypropyl)prop-2-enamide?
N,N-bis(1-hydroxypropyl)prop-2-enamide has a molecular weight of 187.24 g/mol, XLogP of 0.46, 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-hydroxypropyl)prop-2-enamide is sourced from PubChem (CID 22664999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).