N-(2-amino-2-oxoethyl)-N-butylprop-2-enamide

C9H16N2O2 — CID 54274810

IUPACN-(2-amino-2-oxoethyl)-N-butylprop-2-enamide
SMILESC=CC(=O)N(CCCC)CC(N)=O
InChIInChI=1S/C9H16N2O2/c1-3-5-6-11(7-8(10)12)9(13)4-2/h4H,2-3,5-7H2,1H3,(H2,10,12)
InChIKeyRMRDYVUZQKCXJQ-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.29
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-butylprop-2-enamide

N-(2-amino-2-oxoethyl)-N-butylprop-2-enamide (PubChem CID 54274810) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-butylprop-2-enamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-butylprop-2-enamide
PubChem CID54274810
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-(2-amino-2-oxoethyl)-N-butylprop-2-enamide
SMILESC=CC(=O)N(CCCC)CC(N)=O
InChIInChI=1S/C9H16N2O2/c1-3-5-6-11(7-8(10)12)9(13)4-2/h4H,2-3,5-7H2,1H3,(H2,10,12)
InChIKeyRMRDYVUZQKCXJQ-UHFFFAOYSA-N
XLogP0.29
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-(Diethylamino)ethyl)-2-propenamide
CID 82750
Methyl acryloyldiethylenetriamine
CID 155387755
2-Propenamide, N,N-bis[2-[(1-oxo-2-propenyl)amino]ethyl]-
CID 9795288
N-allyl-N'-[3-(dimethylamino)propyl]ethanediamide
CID 2206810
Triethyl-[2-(prop-2-enoylamino)ethyl]azanium
CID 4152954
GC357CT9DY
CID 9855714
N-[2-(dimethylamino)ethyl]-N-propylprop-2-enamide
CID 11355890
N-[2-(propylamino)ethyl]prop-2-enamide
CID 18325562
N-[2-(butylamino)ethyl]prop-2-enamide
CID 18325566
N-[4-(Dimethylamino)butyl]prop-2-enamide
CID 18513339
4-(1-Methyl-4-prop-2-enoylpiperazin-1-ium-1-yl)butanamide
CID 18793251
2-(1-Methyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide chloride
CID 18793256

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-butylprop-2-enamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-butylprop-2-enamide (CID 54274810) is N-(2-amino-2-oxoethyl)-N-butylprop-2-enamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-butylprop-2-enamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-butylprop-2-enamide is C=CC(=O)N(CCCC)CC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-butylprop-2-enamide?
The InChIKey is RMRDYVUZQKCXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-5-6-11(7-8(10)12)9(13)4-2/h4H,2-3,5-7H2,1H3,(H2,10,12).
What are the key properties of N-(2-amino-2-oxoethyl)-N-butylprop-2-enamide?
N-(2-amino-2-oxoethyl)-N-butylprop-2-enamide has a molecular weight of 184.24 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-butylprop-2-enamide is sourced from PubChem (CID 54274810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).