N-[1-(diethylamino)butyl]prop-2-enamide

C11H22N2O — CID 139534809

IUPACN-[1-(diethylamino)butyl]prop-2-enamide
SMILESC=CC(=O)NC(CCC)N(CC)CC
InChIInChI=1S/C11H22N2O/c1-5-9-10(12-11(14)6-2)13(7-3)8-4/h6,10H,2,5,7-9H2,1,3-4H3,(H,12,14)
InChIKeySHIWACFYJYNHKD-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.76
Rot. Bonds7

About N-[1-(diethylamino)butyl]prop-2-enamide

N-[1-(diethylamino)butyl]prop-2-enamide (PubChem CID 139534809) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-[1-(diethylamino)butyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1-(diethylamino)butyl]prop-2-enamide
PubChem CID139534809
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-[1-(diethylamino)butyl]prop-2-enamide
SMILESC=CC(=O)NC(CCC)N(CC)CC
InChIInChI=1S/C11H22N2O/c1-5-9-10(12-11(14)6-2)13(7-3)8-4/h6,10H,2,5,7-9H2,1,3-4H3,(H,12,14)
InChIKeySHIWACFYJYNHKD-UHFFFAOYSA-N
XLogP1.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(prop-2-enoylamino)pentanoic acid
CID 18798141
N-[5-(prop-2-enoylamino)octan-3-yl]prop-2-enamide
CID 89197910
N-[5-(diethylamino)pentan-2-yl]prop-2-enamide
CID 43616329
N-tridecan-5-ylprop-2-enamide
CID 141277245
N-cyclopentyl-N-ethyl-2-(prop-2-enoylamino)pentanamide
CID 154779010
sulfane;N-tetradecan-2-ylprop-2-enamide
CID 161423391
CID 172681063
CID 172681063
N-[(4R,6R)-6-hydroxynon-1-en-4-yl]prop-2-enamide
CID 121012434
N-tetradecan-3-ylprop-2-enamide
CID 54185556
potassium N-tetradecan-2-ylprop-2-enamide
CID 150704180
N-[2-(dimethylamino)pentan-3-yl]prop-2-enamide
CID 87997510
azane;N-methylprop-2-enamide;2-propylpropanedioic acid
CID 172771679

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)butyl]prop-2-enamide?
The IUPAC name of N-[1-(diethylamino)butyl]prop-2-enamide (CID 139534809) is N-[1-(diethylamino)butyl]prop-2-enamide.
What is the SMILES notation for N-[1-(diethylamino)butyl]prop-2-enamide?
The canonical SMILES for N-[1-(diethylamino)butyl]prop-2-enamide is C=CC(=O)NC(CCC)N(CC)CC.
What is the InChIKey of N-[1-(diethylamino)butyl]prop-2-enamide?
The InChIKey is SHIWACFYJYNHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-9-10(12-11(14)6-2)13(7-3)8-4/h6,10H,2,5,7-9H2,1,3-4H3,(H,12,14).
What are the key properties of N-[1-(diethylamino)butyl]prop-2-enamide?
N-[1-(diethylamino)butyl]prop-2-enamide has a molecular weight of 198.31 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)butyl]prop-2-enamide is sourced from PubChem (CID 139534809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).