2-[[(2S)-3,3-dimethylbutan-2-yl]-methylamino]-N-(ethylcarbamoyl)acetamide

C12H25N3O2 — CID 34442127

IUPAC2-[[(2S)-3,3-dimethylbutan-2-yl]-methylamino]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN(C)[C@@H](C)C(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-7-13-11(17)14-10(16)8-15(6)9(2)12(3,4)5/h9H,7-8H2,1-6H3,(H2,13,14,16,17)/t9-/m0/s1
InChIKeyGMHSVCYZKNHSFK-VIFPVBQESA-N
MW243.35 g/mol
LogP1.20
Rot. Bonds4

About 2-[[(2S)-3,3-dimethylbutan-2-yl]-methylamino]-N-(ethylcarbamoyl)acetamide

2-[[(2S)-3,3-dimethylbutan-2-yl]-methylamino]-N-(ethylcarbamoyl)acetamide (PubChem CID 34442127) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[[(2S)-3,3-dimethylbutan-2-yl]-methylamino]-N-(ethylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[(2S)-3,3-dimethylbutan-2-yl]-methylamino]-N-(ethylcarbamoyl)acetamide
PubChem CID34442127
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[[(2S)-3,3-dimethylbutan-2-yl]-methylamino]-N-(ethylcarbamoyl)acetamide
SMILESCCNC(=O)NC(=O)CN(C)[C@@H](C)C(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-7-13-11(17)14-10(16)8-15(6)9(2)12(3,4)5/h9H,7-8H2,1-6H3,(H2,13,14,16,17)/t9-/m0/s1
InChIKeyGMHSVCYZKNHSFK-VIFPVBQESA-N
XLogP1.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-prop-2-ynylacetamide
CID 112726197
N-(ethylcarbamoyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 78825733
2-[3,3-dimethylbutan-2-yl(methyl)amino]-N-(2-methyl-4-oxopentan-3-yl)acetamide
CID 55010254
N-(ethylcarbamoyl)-2-[2-hydroxyethyl(propan-2-yl)amino]acetamide
CID 60691915
N-(ethylcarbamoyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028269
2-[cyclopropyl-[(4-propan-2-ylphenyl)methyl]amino]-N-(ethylcarbamoyl)acetamide
CID 8915748
2-[cycloheptyl(methyl)amino]-N-(ethylcarbamoyl)acetamide
CID 16577824
2-[cyclohexyl(methyl)amino]-N-(ethylcarbamoyl)acetamide
CID 46800805
1,3-bis(ethylcarbamoyl)urea
CID 134915369
2-chloro-N-(ethylcarbamoyl)acetamide
CID 2304790
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(2-methylpropylcarbamoyl)acetamide
CID 78964889
2-[[2-(ethylcarbamoylamino)-2-oxoethyl]-propylamino]acetic acid
CID 61008829

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-3,3-dimethylbutan-2-yl]-methylamino]-N-(ethylcarbamoyl)acetamide?
The IUPAC name of 2-[[(2S)-3,3-dimethylbutan-2-yl]-methylamino]-N-(ethylcarbamoyl)acetamide (CID 34442127) is 2-[[(2S)-3,3-dimethylbutan-2-yl]-methylamino]-N-(ethylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[(2S)-3,3-dimethylbutan-2-yl]-methylamino]-N-(ethylcarbamoyl)acetamide?
The canonical SMILES for 2-[[(2S)-3,3-dimethylbutan-2-yl]-methylamino]-N-(ethylcarbamoyl)acetamide is CCNC(=O)NC(=O)CN(C)[C@@H](C)C(C)(C)C.
What is the InChIKey of 2-[[(2S)-3,3-dimethylbutan-2-yl]-methylamino]-N-(ethylcarbamoyl)acetamide?
The InChIKey is GMHSVCYZKNHSFK-VIFPVBQESA-N. The full InChI is InChI=1S/C12H25N3O2/c1-7-13-11(17)14-10(16)8-15(6)9(2)12(3,4)5/h9H,7-8H2,1-6H3,(H2,13,14,16,17)/t9-/m0/s1.
What are the key properties of 2-[[(2S)-3,3-dimethylbutan-2-yl]-methylamino]-N-(ethylcarbamoyl)acetamide?
2-[[(2S)-3,3-dimethylbutan-2-yl]-methylamino]-N-(ethylcarbamoyl)acetamide has a molecular weight of 243.35 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-3,3-dimethylbutan-2-yl]-methylamino]-N-(ethylcarbamoyl)acetamide is sourced from PubChem (CID 34442127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).