N-butan-2-yl-N-methyl-2-(prop-2-enylamino)acetamide

C10H20N2O — CID 79286394

IUPACN-butan-2-yl-N-methyl-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(C)C(C)CC
InChIInChI=1S/C10H20N2O/c1-5-7-11-8-10(13)12(4)9(3)6-2/h5,9,11H,1,6-8H2,2-4H3
InChIKeyUIILBNNEQRNLOU-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.02
Rot. Bonds6

About N-butan-2-yl-N-methyl-2-(prop-2-enylamino)acetamide

N-butan-2-yl-N-methyl-2-(prop-2-enylamino)acetamide (PubChem CID 79286394) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-2-(prop-2-enylamino)acetamide
PubChem CID79286394
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-butan-2-yl-N-methyl-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)N(C)C(C)CC
InChIInChI=1S/C10H20N2O/c1-5-7-11-8-10(13)12(4)9(3)6-2/h5,9,11H,1,6-8H2,2-4H3
InChIKeyUIILBNNEQRNLOU-UHFFFAOYSA-N
XLogP1.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
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-hydroxypropyl)-N-methyl-2-(prop-2-enylamino)acetamide
CID 79280206
N,N-diethyl-2-(prop-2-enylamino)acetamide
CID 28563292
N-ethyl-2-(prop-2-enylamino)-N-propylacetamide
CID 79286208
3-[ethyl-[2-(prop-2-enylamino)acetyl]amino]-2-methylpropanoic acid
CID 79278388
2-[propan-2-yl-[2-(prop-2-enylamino)acetyl]amino]acetic acid
CID 79278889
N-(2-cyanoethyl)-N-propan-2-yl-2-(prop-2-enylamino)acetamide
CID 79286034
N-(4-ethylcyclohexyl)-N-methyl-2-(prop-2-enylamino)acetamide
CID 79278136
N-methyl-N-[(4-propan-2-ylphenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 78914551
N-butan-2-yl-3-(dimethylamino)-N-methylpropanamide
CID 167181604
2-[carboxymethyl-[2-(prop-2-enylamino)acetyl]amino]acetic acid
CID 79279874
N-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide
CID 79278726
2-[butan-2-yl(methylsulfonyl)amino]-N-prop-2-enylacetamide
CID 113148629

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-butan-2-yl-N-methyl-2-(prop-2-enylamino)acetamide (CID 79286394) is N-butan-2-yl-N-methyl-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-butan-2-yl-N-methyl-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-butan-2-yl-N-methyl-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)N(C)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-methyl-2-(prop-2-enylamino)acetamide?
The InChIKey is UIILBNNEQRNLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-7-11-8-10(13)12(4)9(3)6-2/h5,9,11H,1,6-8H2,2-4H3.
What are the key properties of N-butan-2-yl-N-methyl-2-(prop-2-enylamino)acetamide?
N-butan-2-yl-N-methyl-2-(prop-2-enylamino)acetamide has a molecular weight of 184.28 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 79286394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).