ethane;N-[2-(prop-1-en-2-ylamino)ethyl]acetamide

C11H26N2O — CID 145027590

IUPACethane;N-[2-(prop-1-en-2-ylamino)ethyl]acetamide
SMILESC=C(C)NCCNC(C)=O.CC.CC
InChIInChI=1S/C7H14N2O.2C2H6/c1-6(2)8-4-5-9-7(3)10;2*1-2/h8H,1,4-5H2,2-3H3,(H,9,10);2*1-2H3
InChIKeyUAFGDHYCBBKZSK-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.30
Rot. Bonds4

About ethane;N-[2-(prop-1-en-2-ylamino)ethyl]acetamide

ethane;N-[2-(prop-1-en-2-ylamino)ethyl]acetamide (PubChem CID 145027590) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is ethane;N-[2-(prop-1-en-2-ylamino)ethyl]acetamide.

Molecular Properties

Compound Nameethane;N-[2-(prop-1-en-2-ylamino)ethyl]acetamide
PubChem CID145027590
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC Nameethane;N-[2-(prop-1-en-2-ylamino)ethyl]acetamide
SMILESC=C(C)NCCNC(C)=O.CC.CC
InChIInChI=1S/C7H14N2O.2C2H6/c1-6(2)8-4-5-9-7(3)10;2*1-2/h8H,1,4-5H2,2-3H3,(H,9,10);2*1-2H3
InChIKeyUAFGDHYCBBKZSK-UHFFFAOYSA-N
XLogP2.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N'-diacetylpropylene-1,2-diamine
CID 146681442
N-[2-(prop-1-en-2-ylamino)ethyl]acetamide
CID 21030566
N-propan-2-yl-2-(propan-2-ylamino)prop-2-enamide
CID 23525031
(Z)-3-[2-(2-aminoethylamino)ethylamino]-N-ethylbut-2-enamide
CID 57549796
2-amino-N-prop-1-en-2-ylacetamide
CID 88172544
2-formamido-N-prop-1-en-2-ylacetamide
CID 88519435
2-(ethylamino)-N-propan-2-ylprop-2-enamide
CID 88662783
N-[4-(prop-1-en-2-ylamino)butyl]acetamide
CID 88972536
N-[2-[ethyl(prop-1-en-2-yl)amino]ethyl]-N-methylacetamide
CID 89020628
N-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide
CID 89105810
2-amino-N-ethylprop-2-enamide
CID 89205058
N-[(E)-4-(prop-1-en-2-ylamino)but-2-enyl]acetamide
CID 89227881

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-(prop-1-en-2-ylamino)ethyl]acetamide?
The IUPAC name of ethane;N-[2-(prop-1-en-2-ylamino)ethyl]acetamide (CID 145027590) is ethane;N-[2-(prop-1-en-2-ylamino)ethyl]acetamide.
What is the SMILES notation for ethane;N-[2-(prop-1-en-2-ylamino)ethyl]acetamide?
The canonical SMILES for ethane;N-[2-(prop-1-en-2-ylamino)ethyl]acetamide is C=C(C)NCCNC(C)=O.CC.CC.
What is the InChIKey of ethane;N-[2-(prop-1-en-2-ylamino)ethyl]acetamide?
The InChIKey is UAFGDHYCBBKZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O.2C2H6/c1-6(2)8-4-5-9-7(3)10;2*1-2/h8H,1,4-5H2,2-3H3,(H,9,10);2*1-2H3.
What are the key properties of ethane;N-[2-(prop-1-en-2-ylamino)ethyl]acetamide?
ethane;N-[2-(prop-1-en-2-ylamino)ethyl]acetamide has a molecular weight of 202.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-(prop-1-en-2-ylamino)ethyl]acetamide is sourced from PubChem (CID 145027590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).