N-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide

C12H24N2O2 — CID 18071565

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C12H24N2O2/c1-9(2)14(10(3)4)7-6-13-12(16)8-11(5)15/h9-10H,6-8H2,1-5H3,(H,13,16)
InChIKeyUWWPHMQFRSGVIU-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.20
Rot. Bonds7

About N-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide

N-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide (PubChem CID 18071565) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide
PubChem CID18071565
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide
SMILESCC(=O)CC(=O)NCCN(C(C)C)C(C)C
InChIInChI=1S/C12H24N2O2/c1-9(2)14(10(3)4)7-6-13-12(16)8-11(5)15/h9-10H,6-8H2,1-5H3,(H,13,16)
InChIKeyUWWPHMQFRSGVIU-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]-2-methylprop-2-enamide
CID 87732978
5-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpentanamide
CID 82683387
1-[2-[di(propan-2-yl)amino]ethyl]-3-(2-hydroxyethyl)urea
CID 110894307
N-(2-aminoethyl)-3-oxobutanamide
CID 3020471
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924472
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methoxyethylamino)acetamide
CID 79282466
3-(aminomethyl)-N-[2-[di(propan-2-yl)amino]ethyl]pentanamide
CID 81070103
N-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-sulfanylbutanamide
CID 107019789
propan-2-yl N-[2-[di(propan-2-yl)amino]ethyl]carbamate
CID 116653876
N-[2-[di(propan-2-yl)amino]ethyl]-2-methyloxirane-2-carboxamide
CID 166429060
2-(4-bromophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 66816834
3-oxo-N-(3-oxobutyl)butanamide
CID 159841934

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide (CID 18071565) is N-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide is CC(=O)CC(=O)NCCN(C(C)C)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide?
The InChIKey is UWWPHMQFRSGVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)14(10(3)4)7-6-13-12(16)8-11(5)15/h9-10H,6-8H2,1-5H3,(H,13,16).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide?
N-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide has a molecular weight of 228.34 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide is sourced from PubChem (CID 18071565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).