N-(dihydroxymethylcarbamoyl)-N-ethyl-2,2-dimethylpropanamide

C9H18N2O4 — CID 141104296

IUPACN-(dihydroxymethylcarbamoyl)-N-ethyl-2,2-dimethylpropanamide
SMILESCCN(C(=O)NC(O)O)C(=O)C(C)(C)C
InChIInChI=1S/C9H18N2O4/c1-5-11(6(12)9(2,3)4)7(13)10-8(14)15/h8,14-15H,5H2,1-4H3,(H,10,13)
InChIKeyAMDFLDYBRQVRMY-UHFFFAOYSA-N
MW218.25 g/mol
LogP-0.14
Rot. Bonds2

About N-(dihydroxymethylcarbamoyl)-N-ethyl-2,2-dimethylpropanamide

N-(dihydroxymethylcarbamoyl)-N-ethyl-2,2-dimethylpropanamide (PubChem CID 141104296) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is N-(dihydroxymethylcarbamoyl)-N-ethyl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(dihydroxymethylcarbamoyl)-N-ethyl-2,2-dimethylpropanamide
PubChem CID141104296
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC NameN-(dihydroxymethylcarbamoyl)-N-ethyl-2,2-dimethylpropanamide
SMILESCCN(C(=O)NC(O)O)C(=O)C(C)(C)C
InChIInChI=1S/C9H18N2O4/c1-5-11(6(12)9(2,3)4)7(13)10-8(14)15/h8,14-15H,5H2,1-4H3,(H,10,13)
InChIKeyAMDFLDYBRQVRMY-UHFFFAOYSA-N
XLogP-0.14
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-(dihydroxymethylcarbamoyl)-N-ethyl-2,2-dimethylpropanamide 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

N-ethyl-2,2-dimethylpropanehydrazide
CID 56982363
N-[3,3-dimethyl-2-(methylamino)butyl]-2,2-dimethyl-N-propanoylpropanamide
CID 143195947
N-ethyl-N-(2-ethylbutyl)-2,2-dimethylpropanamide
CID 62735136
1-(dihydroxymethyl)-3-ethylurea
CID 141116762
N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 60707866
N-ethyl-N-(methoxymethyl)-2,2-dimethylpropanamide
CID 176739143
2,2-dimethyl-N-[(1R)-2,2,2-trichloro-1-(diethylamino)ethyl]propanamide
CID 2252471
(2R)-2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-3,3-dimethylbutanoic acid
CID 113353148
2,2-dimethyl-N,N-dipropylpropanamide;methane
CID 157106915
3-tert-butyl-1-ethyl-1-propan-2-ylurea
CID 115585495
2,2-dimethyl-N-[5-(propanoylamino)hexan-2-yl]propanamide
CID 170029722
N-[2-(diethylamino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 60707989

Frequently Asked Questions

What is the IUPAC name of N-(dihydroxymethylcarbamoyl)-N-ethyl-2,2-dimethylpropanamide?
The IUPAC name of N-(dihydroxymethylcarbamoyl)-N-ethyl-2,2-dimethylpropanamide (CID 141104296) is N-(dihydroxymethylcarbamoyl)-N-ethyl-2,2-dimethylpropanamide.
What is the SMILES notation for N-(dihydroxymethylcarbamoyl)-N-ethyl-2,2-dimethylpropanamide?
The canonical SMILES for N-(dihydroxymethylcarbamoyl)-N-ethyl-2,2-dimethylpropanamide is CCN(C(=O)NC(O)O)C(=O)C(C)(C)C.
What is the InChIKey of N-(dihydroxymethylcarbamoyl)-N-ethyl-2,2-dimethylpropanamide?
The InChIKey is AMDFLDYBRQVRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-5-11(6(12)9(2,3)4)7(13)10-8(14)15/h8,14-15H,5H2,1-4H3,(H,10,13).
What are the key properties of N-(dihydroxymethylcarbamoyl)-N-ethyl-2,2-dimethylpropanamide?
N-(dihydroxymethylcarbamoyl)-N-ethyl-2,2-dimethylpropanamide has a molecular weight of 218.25 g/mol, XLogP of -0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(dihydroxymethylcarbamoyl)-N-ethyl-2,2-dimethylpropanamide is sourced from PubChem (CID 141104296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).