2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide

C8H17N3O2 — CID 115575214

IUPAC2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide
SMILESCNC(=O)N(C)CC(=O)NC(C)C
InChIInChI=1S/C8H17N3O2/c1-6(2)10-7(12)5-11(4)8(13)9-3/h6H,5H2,1-4H3,(H,9,13)(H,10,12)
InChIKeyLRCSWSLHRORVHK-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.22
Rot. Bonds3

About 2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide

2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide (PubChem CID 115575214) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide
PubChem CID115575214
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide
SMILESCNC(=O)N(C)CC(=O)NC(C)C
InChIInChI=1S/C8H17N3O2/c1-6(2)10-7(12)5-11(4)8(13)9-3/h6H,5H2,1-4H3,(H,9,13)(H,10,12)
InChIKeyLRCSWSLHRORVHK-UHFFFAOYSA-N
XLogP-0.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]propanoic acid
CID 78973916
2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 60661823
2-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 60937489
3-methyl-2-[[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]methyl]butanoic acid
CID 65220996
2,2,3-trimethyl-3-[[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]amino]butanoic acid
CID 65263700
5-hydroxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 79198624
4-amino-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide;hydrochloride
CID 119272108
2-bromo-N,2-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 114328087
3-amino-N,3-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 64685273
(2S)-2-amino-N,4-dimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pentanamide
CID 61165022
(2R)-2-amino-N,3,3-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 113353361
3-chloro-N,2,2-trimethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 63679818

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide (CID 115575214) is 2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide is CNC(=O)N(C)CC(=O)NC(C)C.
What is the InChIKey of 2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide?
The InChIKey is LRCSWSLHRORVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-6(2)10-7(12)5-11(4)8(13)9-3/h6H,5H2,1-4H3,(H,9,13)(H,10,12).
What are the key properties of 2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide?
2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide has a molecular weight of 187.24 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 115575214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).