N-tert-butyl-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide

C12H23N3O2 — CID 113056622

IUPACN-tert-butyl-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)NC1CC1)C(C)(C)C
InChIInChI=1S/C12H23N3O2/c1-9(16)15(12(2,3)4)8-7-13-11(17)14-10-5-6-10/h10H,5-8H2,1-4H3,(H2,13,14,17)
InChIKeyMVVCWSWLHMOJTK-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.10
Rot. Bonds4

About N-tert-butyl-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide

N-tert-butyl-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide (PubChem CID 113056622) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-tert-butyl-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
PubChem CID113056622
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-tert-butyl-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
SMILESCC(=O)N(CCNC(=O)NC1CC1)C(C)(C)C
InChIInChI=1S/C12H23N3O2/c1-9(16)15(12(2,3)4)8-7-13-11(17)14-10-5-6-10/h10H,5-8H2,1-4H3,(H2,13,14,17)
InChIKeyMVVCWSWLHMOJTK-UHFFFAOYSA-N
XLogP1.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

1-cyclopropyl-3-(3,3-dimethylbutyl)urea
CID 115580158
1-cyclopropyl-3-[2-[cyclopropyl(methyl)amino]ethyl]urea
CID 115595301
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2-methoxyethyl)acetamide
CID 113053206
2-[acetyl(tert-butyl)amino]-N-cyclopropylacetamide
CID 113166055
1-cyclopropyl-3-(4,4-dimethylpentyl)urea
CID 110617831
1-[2-[tert-butyl(methylsulfonyl)amino]ethyl]-3-cyclohexylurea
CID 113068057
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(1,1-dioxothiolan-3-yl)acetamide
CID 113056079
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(3,5-dimethylphenyl)acetamide
CID 113058035
N-tert-butyl-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113056611
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(4-fluorophenyl)acetamide
CID 113059350
N-[2-(cyclopropylcarbamoylamino)ethyl]-N-(2-ethylphenyl)acetamide
CID 113058350
1-cyclopropyl-3-[2-(dimethylamino)-2-methylpropyl]urea
CID 110303291

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide?
The IUPAC name of N-tert-butyl-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide (CID 113056622) is N-tert-butyl-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide.
What is the SMILES notation for N-tert-butyl-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide?
The canonical SMILES for N-tert-butyl-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide is CC(=O)N(CCNC(=O)NC1CC1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide?
The InChIKey is MVVCWSWLHMOJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(16)15(12(2,3)4)8-7-13-11(17)14-10-5-6-10/h10H,5-8H2,1-4H3,(H2,13,14,17).
What are the key properties of N-tert-butyl-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide?
N-tert-butyl-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide has a molecular weight of 241.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide is sourced from PubChem (CID 113056622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).