3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-2,2,3-trimethylbutanamide

C12H23N3O2 — CID 65264740

IUPAC3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCC(=O)NC1CC1
InChIInChI=1S/C12H23N3O2/c1-11(2,12(3,4)13)10(17)14-7-9(16)15-8-5-6-8/h8H,5-7,13H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyHIZVVIIYWFHLGW-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.14
Rot. Bonds5

About 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-2,2,3-trimethylbutanamide

3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-2,2,3-trimethylbutanamide (PubChem CID 65264740) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-2,2,3-trimethylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-2,2,3-trimethylbutanamide
PubChem CID65264740
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-2,2,3-trimethylbutanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCC(=O)NC1CC1
InChIInChI=1S/C12H23N3O2/c1-11(2,12(3,4)13)10(17)14-7-9(16)15-8-5-6-8/h8H,5-7,13H2,1-4H3,(H,14,17)(H,15,16)
InChIKeyHIZVVIIYWFHLGW-UHFFFAOYSA-N
XLogP0.14
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-N-[2-(cyclopropylamino)-2-oxoethyl]propanamide
CID 60866101
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79797691
3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-3-methylbutanamide
CID 64684778
2-cyano-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylbutanamide
CID 114291149
3-amino-N-(1,1-dioxothian-4-yl)-2,2,3-trimethylbutanamide
CID 65264497
2-amino-N-[2-(cyclopropylamino)-2-oxoethyl]acetamide
CID 43515302
N-cyclopropyl-2-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]acetamide
CID 103911934
N-[2-(cyclopropylamino)-2-oxoethyl]-2,2,3,3-tetrafluoropropanamide
CID 103732155
3-amino-N-[(4-hydroxycyclohexyl)methyl]-2,2,3-trimethylbutanamide
CID 114148256
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-2-methylpropanamide
CID 61220192
N-[2-(cyclopropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 60668703
N-cyclopropyl-2-(2,2-dimethylpropylamino)acetamide
CID 61167227

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-2,2,3-trimethylbutanamide?
The IUPAC name of 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-2,2,3-trimethylbutanamide (CID 65264740) is 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-2,2,3-trimethylbutanamide.
What is the SMILES notation for 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-2,2,3-trimethylbutanamide?
The canonical SMILES for 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-2,2,3-trimethylbutanamide is CC(C)(N)C(C)(C)C(=O)NCC(=O)NC1CC1.
What is the InChIKey of 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-2,2,3-trimethylbutanamide?
The InChIKey is HIZVVIIYWFHLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-11(2,12(3,4)13)10(17)14-7-9(16)15-8-5-6-8/h8H,5-7,13H2,1-4H3,(H,14,17)(H,15,16).
What are the key properties of 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-2,2,3-trimethylbutanamide?
3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-2,2,3-trimethylbutanamide has a molecular weight of 241.33 g/mol, XLogP of 0.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(cyclopropylamino)-2-oxoethyl]-2,2,3-trimethylbutanamide is sourced from PubChem (CID 65264740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).