N-propan-2-yl-2-[[(E)-prop-1-enyl]-[[(E)-prop-1-enyl]iminomethyl]amino]acetamide

C12H21N3O — CID 170236979

IUPACN-propan-2-yl-2-[[(E)-prop-1-enyl]-[[(E)-prop-1-enyl]iminomethyl]amino]acetamide
SMILESC/C=C/N=C/N(/C=C/C)CC(=O)NC(C)C
InChIInChI=1S/C12H21N3O/c1-5-7-13-10-15(8-6-2)9-12(16)14-11(3)4/h5-8,10-11H,9H2,1-4H3,(H,14,16)/b7-5+,8-6+,13-10+
InChIKeyBIVXJXCDZQJDTC-CRPWUFOFSA-N
MW223.32 g/mol
LogP1.91
Rot. Bonds6

About N-propan-2-yl-2-[[(E)-prop-1-enyl]-[[(E)-prop-1-enyl]iminomethyl]amino]acetamide

N-propan-2-yl-2-[[(E)-prop-1-enyl]-[[(E)-prop-1-enyl]iminomethyl]amino]acetamide (PubChem CID 170236979) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-propan-2-yl-2-[[(E)-prop-1-enyl]-[[(E)-prop-1-enyl]iminomethyl]amino]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[[(E)-prop-1-enyl]-[[(E)-prop-1-enyl]iminomethyl]amino]acetamide
PubChem CID170236979
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-propan-2-yl-2-[[(E)-prop-1-enyl]-[[(E)-prop-1-enyl]iminomethyl]amino]acetamide
SMILESC/C=C/N=C/N(/C=C/C)CC(=O)NC(C)C
InChIInChI=1S/C12H21N3O/c1-5-7-13-10-15(8-6-2)9-12(16)14-11(3)4/h5-8,10-11H,9H2,1-4H3,(H,14,16)/b7-5+,8-6+,13-10+
InChIKeyBIVXJXCDZQJDTC-CRPWUFOFSA-N
XLogP1.91
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[(E)-prop-1-enyl]-[[(E)-prop-1-enyl]iminomethyl]amino]acetamide?
The IUPAC name of N-propan-2-yl-2-[[(E)-prop-1-enyl]-[[(E)-prop-1-enyl]iminomethyl]amino]acetamide (CID 170236979) is N-propan-2-yl-2-[[(E)-prop-1-enyl]-[[(E)-prop-1-enyl]iminomethyl]amino]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[[(E)-prop-1-enyl]-[[(E)-prop-1-enyl]iminomethyl]amino]acetamide?
The canonical SMILES for N-propan-2-yl-2-[[(E)-prop-1-enyl]-[[(E)-prop-1-enyl]iminomethyl]amino]acetamide is C/C=C/N=C/N(/C=C/C)CC(=O)NC(C)C.
What is the InChIKey of N-propan-2-yl-2-[[(E)-prop-1-enyl]-[[(E)-prop-1-enyl]iminomethyl]amino]acetamide?
The InChIKey is BIVXJXCDZQJDTC-CRPWUFOFSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-7-13-10-15(8-6-2)9-12(16)14-11(3)4/h5-8,10-11H,9H2,1-4H3,(H,14,16)/b7-5+,8-6+,13-10+.
What are the key properties of N-propan-2-yl-2-[[(E)-prop-1-enyl]-[[(E)-prop-1-enyl]iminomethyl]amino]acetamide?
N-propan-2-yl-2-[[(E)-prop-1-enyl]-[[(E)-prop-1-enyl]iminomethyl]amino]acetamide has a molecular weight of 223.32 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[(E)-prop-1-enyl]-[[(E)-prop-1-enyl]iminomethyl]amino]acetamide is sourced from PubChem (CID 170236979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).