N-[2-[[(2R)-2,3-dimethylbutyl]amino]-2-oxoethyl]prop-2-enamide

C11H20N2O2 — CID 163513536

IUPACN-[2-[[(2R)-2,3-dimethylbutyl]amino]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)NC[C@H](C)C(C)C
InChIInChI=1S/C11H20N2O2/c1-5-10(14)13-7-11(15)12-6-9(4)8(2)3/h5,8-9H,1,6-7H2,2-4H3,(H,12,15)(H,13,14)/t9-/m0/s1
InChIKeyDETQCQDPNZEVIX-VIFPVBQESA-N
MW212.29 g/mol
LogP0.70
Rot. Bonds6

About N-[2-[[(2R)-2,3-dimethylbutyl]amino]-2-oxoethyl]prop-2-enamide

N-[2-[[(2R)-2,3-dimethylbutyl]amino]-2-oxoethyl]prop-2-enamide (PubChem CID 163513536) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[2-[[(2R)-2,3-dimethylbutyl]amino]-2-oxoethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[[(2R)-2,3-dimethylbutyl]amino]-2-oxoethyl]prop-2-enamide
PubChem CID163513536
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC NameN-[2-[[(2R)-2,3-dimethylbutyl]amino]-2-oxoethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)NC[C@H](C)C(C)C
InChIInChI=1S/C11H20N2O2/c1-5-10(14)13-7-11(15)12-6-9(4)8(2)3/h5,8-9H,1,6-7H2,2-4H3,(H,12,15)(H,13,14)/t9-/m0/s1
InChIKeyDETQCQDPNZEVIX-VIFPVBQESA-N
XLogP0.70
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R)-2,3-dimethylbutyl]amino]-2-oxoethyl]prop-2-enamide?
The IUPAC name of N-[2-[[(2R)-2,3-dimethylbutyl]amino]-2-oxoethyl]prop-2-enamide (CID 163513536) is N-[2-[[(2R)-2,3-dimethylbutyl]amino]-2-oxoethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[[(2R)-2,3-dimethylbutyl]amino]-2-oxoethyl]prop-2-enamide?
The canonical SMILES for N-[2-[[(2R)-2,3-dimethylbutyl]amino]-2-oxoethyl]prop-2-enamide is C=CC(=O)NCC(=O)NC[C@H](C)C(C)C.
What is the InChIKey of N-[2-[[(2R)-2,3-dimethylbutyl]amino]-2-oxoethyl]prop-2-enamide?
The InChIKey is DETQCQDPNZEVIX-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O2/c1-5-10(14)13-7-11(15)12-6-9(4)8(2)3/h5,8-9H,1,6-7H2,2-4H3,(H,12,15)(H,13,14)/t9-/m0/s1.
What are the key properties of N-[2-[[(2R)-2,3-dimethylbutyl]amino]-2-oxoethyl]prop-2-enamide?
N-[2-[[(2R)-2,3-dimethylbutyl]amino]-2-oxoethyl]prop-2-enamide has a molecular weight of 212.29 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R)-2,3-dimethylbutyl]amino]-2-oxoethyl]prop-2-enamide is sourced from PubChem (CID 163513536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).