3-[[(E)-but-2-enyl]amino]-N-(2-methylpropyl)propanamide

C11H22N2O — CID 107899226

IUPAC3-[[(E)-but-2-enyl]amino]-N-(2-methylpropyl)propanamide
SMILESC/C=C/CNCCC(=O)NCC(C)C
InChIInChI=1S/C11H22N2O/c1-4-5-7-12-8-6-11(14)13-9-10(2)3/h4-5,10,12H,6-9H2,1-3H3,(H,13,14)/b5-4+
InChIKeyVGKMVCAPBUHEJS-SNAWJCMRSA-N
MW198.31 g/mol
LogP1.31
Rot. Bonds7

About 3-[[(E)-but-2-enyl]amino]-N-(2-methylpropyl)propanamide

3-[[(E)-but-2-enyl]amino]-N-(2-methylpropyl)propanamide (PubChem CID 107899226) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-[[(E)-but-2-enyl]amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[[(E)-but-2-enyl]amino]-N-(2-methylpropyl)propanamide
PubChem CID107899226
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-[[(E)-but-2-enyl]amino]-N-(2-methylpropyl)propanamide
SMILESC/C=C/CNCCC(=O)NCC(C)C
InChIInChI=1S/C11H22N2O/c1-4-5-7-12-8-6-11(14)13-9-10(2)3/h4-5,10,12H,6-9H2,1-3H3,(H,13,14)/b5-4+
InChIKeyVGKMVCAPBUHEJS-SNAWJCMRSA-N
XLogP1.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpropyl)-3-(prop-2-enylamino)propanamide
CID 109011984
3-(3-methylbut-2-enylamino)-N-(2-methylpropyl)propanamide
CID 107900289
3-(ethylamino)-N-(2-methylpropyl)propanamide
CID 62832271
(Z)-2-methyl-4-[[3-(2-methylpropylamino)-3-oxopropyl]amino]but-2-enoic acid
CID 103263353
3-(2-methylpropylamino)-N-propylpropanamide
CID 61059626
N-(2-methylpropyl)-3-(2-methylpropylcarbamothioylamino)propanamide
CID 116510044
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
N-(2-methylpropyl)-5-(propan-2-ylamino)pentanamide
CID 146802070
2-methyl-3-[[3-(2-methylpropylamino)-3-oxopropyl]amino]-3-oxopropanoic acid
CID 114898951
3-hydroxy-2-[[3-(2-methylpropylamino)-3-oxopropyl]carbamoylamino]propanoic acid
CID 113410923
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
N-cyclopropyl-3-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
CID 79394275

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-but-2-enyl]amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[[(E)-but-2-enyl]amino]-N-(2-methylpropyl)propanamide (CID 107899226) is 3-[[(E)-but-2-enyl]amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[[(E)-but-2-enyl]amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[[(E)-but-2-enyl]amino]-N-(2-methylpropyl)propanamide is C/C=C/CNCCC(=O)NCC(C)C.
What is the InChIKey of 3-[[(E)-but-2-enyl]amino]-N-(2-methylpropyl)propanamide?
The InChIKey is VGKMVCAPBUHEJS-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-5-7-12-8-6-11(14)13-9-10(2)3/h4-5,10,12H,6-9H2,1-3H3,(H,13,14)/b5-4+.
What are the key properties of 3-[[(E)-but-2-enyl]amino]-N-(2-methylpropyl)propanamide?
3-[[(E)-but-2-enyl]amino]-N-(2-methylpropyl)propanamide has a molecular weight of 198.31 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-but-2-enyl]amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 107899226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).