N-tert-butyl-N-ethyl-3-(prop-1-en-2-ylamino)propanamide

C12H24N2O — CID 88911258

IUPACN-tert-butyl-N-ethyl-3-(prop-1-en-2-ylamino)propanamide
SMILESC=C(C)NCCC(=O)N(CC)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-7-14(12(4,5)6)11(15)8-9-13-10(2)3/h13H,2,7-9H2,1,3-6H3
InChIKeyNQRTUBZKRCFVMI-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.15
Rot. Bonds5

About N-tert-butyl-N-ethyl-3-(prop-1-en-2-ylamino)propanamide

N-tert-butyl-N-ethyl-3-(prop-1-en-2-ylamino)propanamide (PubChem CID 88911258) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-tert-butyl-N-ethyl-3-(prop-1-en-2-ylamino)propanamide.

Molecular Properties

Compound NameN-tert-butyl-N-ethyl-3-(prop-1-en-2-ylamino)propanamide
PubChem CID88911258
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-tert-butyl-N-ethyl-3-(prop-1-en-2-ylamino)propanamide
SMILESC=C(C)NCCC(=O)N(CC)C(C)(C)C
InChIInChI=1S/C12H24N2O/c1-7-14(12(4,5)6)11(15)8-9-13-10(2)3/h13H,2,7-9H2,1,3-6H3
InChIKeyNQRTUBZKRCFVMI-UHFFFAOYSA-N
XLogP2.15
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-N-ethyl-3-(prop-1-en-2-ylamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-ethyl-3-(prop-1-en-2-ylamino)propanamide?
The IUPAC name of N-tert-butyl-N-ethyl-3-(prop-1-en-2-ylamino)propanamide (CID 88911258) is N-tert-butyl-N-ethyl-3-(prop-1-en-2-ylamino)propanamide.
What is the SMILES notation for N-tert-butyl-N-ethyl-3-(prop-1-en-2-ylamino)propanamide?
The canonical SMILES for N-tert-butyl-N-ethyl-3-(prop-1-en-2-ylamino)propanamide is C=C(C)NCCC(=O)N(CC)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-ethyl-3-(prop-1-en-2-ylamino)propanamide?
The InChIKey is NQRTUBZKRCFVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-7-14(12(4,5)6)11(15)8-9-13-10(2)3/h13H,2,7-9H2,1,3-6H3.
What are the key properties of N-tert-butyl-N-ethyl-3-(prop-1-en-2-ylamino)propanamide?
N-tert-butyl-N-ethyl-3-(prop-1-en-2-ylamino)propanamide has a molecular weight of 212.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-ethyl-3-(prop-1-en-2-ylamino)propanamide is sourced from PubChem (CID 88911258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).