3-(2-chloropropanoylcarbamoylamino)-N,2,2-trimethylpropanamide

C10H18ClN3O3 — CID 106279493

IUPAC3-(2-chloropropanoylcarbamoylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)NC(=O)C(C)Cl
InChIInChI=1S/C10H18ClN3O3/c1-6(11)7(15)14-9(17)13-5-10(2,3)8(16)12-4/h6H,5H2,1-4H3,(H,12,16)(H2,13,14,15,17)
InChIKeyRMWYEVIIGVTMMP-UHFFFAOYSA-N
MW263.72 g/mol
LogP0.21
Rot. Bonds4

About 3-(2-chloropropanoylcarbamoylamino)-N,2,2-trimethylpropanamide

3-(2-chloropropanoylcarbamoylamino)-N,2,2-trimethylpropanamide (PubChem CID 106279493) has the molecular formula C10H18ClN3O3 and a molecular weight of 263.72 g/mol. Its IUPAC name is 3-(2-chloropropanoylcarbamoylamino)-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-(2-chloropropanoylcarbamoylamino)-N,2,2-trimethylpropanamide
PubChem CID106279493
Molecular FormulaC10H18ClN3O3
Molecular Weight263.72 g/mol
Exact Mass263.10
IUPAC Name3-(2-chloropropanoylcarbamoylamino)-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)CNC(=O)NC(=O)C(C)Cl
InChIInChI=1S/C10H18ClN3O3/c1-6(11)7(15)14-9(17)13-5-10(2,3)8(16)12-4/h6H,5H2,1-4H3,(H,12,16)(H2,13,14,15,17)
InChIKeyRMWYEVIIGVTMMP-UHFFFAOYSA-N
XLogP0.21
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.72
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(2-aminopropanoylamino)-N,2,2-trimethylpropanamide
CID 103950826
3-(tert-butylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 103822805
N,2,2-trimethyl-3-(propylcarbamoylamino)propanamide
CID 103822806
4-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]pentanoic acid
CID 106279362
3-[(2-chloro-2-phenylacetyl)amino]-N,2,2-trimethylpropanamide
CID 106275818
2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]butanedioic acid
CID 106279378
N,2,2-trimethyl-3-(2-methylpropylcarbamothioylamino)propanamide
CID 103822773
ethyl 2-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]carbamoylamino]acetate
CID 113278352
2-chloro-N-(7-methyloctylcarbamoyl)propanamide
CID 114004357
2-chloro-N-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]propanamide
CID 43311123
2-chloro-N-[[2-(ethylamino)-2-oxoethyl]carbamoyl]propanamide
CID 43566494
3-[[4-(1-aminoethyl)phenyl]carbamoylamino]-N,2,2-trimethylpropanamide
CID 106279936

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloropropanoylcarbamoylamino)-N,2,2-trimethylpropanamide?
The IUPAC name of 3-(2-chloropropanoylcarbamoylamino)-N,2,2-trimethylpropanamide (CID 106279493) is 3-(2-chloropropanoylcarbamoylamino)-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-(2-chloropropanoylcarbamoylamino)-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-(2-chloropropanoylcarbamoylamino)-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)CNC(=O)NC(=O)C(C)Cl.
What is the InChIKey of 3-(2-chloropropanoylcarbamoylamino)-N,2,2-trimethylpropanamide?
The InChIKey is RMWYEVIIGVTMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN3O3/c1-6(11)7(15)14-9(17)13-5-10(2,3)8(16)12-4/h6H,5H2,1-4H3,(H,12,16)(H2,13,14,15,17).
What are the key properties of 3-(2-chloropropanoylcarbamoylamino)-N,2,2-trimethylpropanamide?
3-(2-chloropropanoylcarbamoylamino)-N,2,2-trimethylpropanamide has a molecular weight of 263.72 g/mol, XLogP of 0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloropropanoylcarbamoylamino)-N,2,2-trimethylpropanamide is sourced from PubChem (CID 106279493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).