N,N-dimethyl-3-(prop-2-enoylamino)propanamide

C8H14N2O2 — CID 19971020

IUPACN,N-dimethyl-3-(prop-2-enoylamino)propanamide
SMILESC=CC(=O)NCCC(=O)N(C)C
InChIInChI=1S/C8H14N2O2/c1-4-7(11)9-6-5-8(12)10(2)3/h4H,1,5-6H2,2-3H3,(H,9,11)
InChIKeyUAQQYZSMBDCZLL-UHFFFAOYSA-N
MW170.21 g/mol
LogP-0.23
Rot. Bonds4

About N,N-dimethyl-3-(prop-2-enoylamino)propanamide

N,N-dimethyl-3-(prop-2-enoylamino)propanamide (PubChem CID 19971020) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N,N-dimethyl-3-(prop-2-enoylamino)propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(prop-2-enoylamino)propanamide
PubChem CID19971020
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN,N-dimethyl-3-(prop-2-enoylamino)propanamide
SMILESC=CC(=O)NCCC(=O)N(C)C
InChIInChI=1S/C8H14N2O2/c1-4-7(11)9-6-5-8(12)10(2)3/h4H,1,5-6H2,2-3H3,(H,9,11)
InChIKeyUAQQYZSMBDCZLL-UHFFFAOYSA-N
XLogP-0.23
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 5-0.23
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,N-dimethylmethanamine;N-propylprop-2-enamide;hydrochloride
CID 173003472
N-methyl-N-(1-methylpiperidin-4-yl)-3-(prop-2-enoylamino)propanamide
CID 146091961
3-(prop-2-enoylamino)propanoyl iodide
CID 178000276
N-[2-(dimethylamino)ethyl]prop-2-enamide;molecular hydrogen
CID 176682975
N-(2-aminoethyl)prop-2-enamide;N,N-dimethylmethanamine;hydrochloride
CID 173056449
N-[4-(prop-2-enoylamino)butyl]prop-2-enamide
CID 11542941
molecular hydrogen;N-(3-oxobutyl)prop-2-enamide;prop-1-ene
CID 143781918
N-[2-[bis[2-(prop-2-enoylamino)ethyl]amino]ethyl]prop-2-enamide;propane
CID 144591761
N-[2-[ethylidenecarbamoyl(methyl)amino]ethyl]prop-2-enamide
CID 141007643
N-[2-[2-hydroxyethyl(methyl)amino]ethyl]prop-2-enamide
CID 144591746
N-[12-(prop-2-enoylamino)dodecyl]prop-2-enamide;N-[9-(prop-2-enoylamino)nonyl]prop-2-enamide
CID 159527537
2-[[3-(dimethylamino)-3-oxopropyl]carbamoyl-prop-2-enylamino]acetic acid
CID 79277072

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(prop-2-enoylamino)propanamide?
The IUPAC name of N,N-dimethyl-3-(prop-2-enoylamino)propanamide (CID 19971020) is N,N-dimethyl-3-(prop-2-enoylamino)propanamide.
What is the SMILES notation for N,N-dimethyl-3-(prop-2-enoylamino)propanamide?
The canonical SMILES for N,N-dimethyl-3-(prop-2-enoylamino)propanamide is C=CC(=O)NCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-(prop-2-enoylamino)propanamide?
The InChIKey is UAQQYZSMBDCZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-4-7(11)9-6-5-8(12)10(2)3/h4H,1,5-6H2,2-3H3,(H,9,11).
What are the key properties of N,N-dimethyl-3-(prop-2-enoylamino)propanamide?
N,N-dimethyl-3-(prop-2-enoylamino)propanamide has a molecular weight of 170.21 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(prop-2-enoylamino)propanamide is sourced from PubChem (CID 19971020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).