3-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide

C10H19ClN2O2 — CID 63678646

IUPAC3-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCCNC(=O)C(C)NC(=O)C(C)(C)CCl
InChIInChI=1S/C10H19ClN2O2/c1-5-12-8(14)7(2)13-9(15)10(3,4)6-11/h7H,5-6H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyAHAKIEPIOLKMOC-UHFFFAOYSA-N
MW234.73 g/mol
LogP0.89
Rot. Bonds5

About 3-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide

3-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide (PubChem CID 63678646) has the molecular formula C10H19ClN2O2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 3-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
PubChem CID63678646
Molecular FormulaC10H19ClN2O2
Molecular Weight234.73 g/mol
Exact Mass234.11
IUPAC Name3-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide
SMILESCCNC(=O)C(C)NC(=O)C(C)(C)CCl
InChIInChI=1S/C10H19ClN2O2/c1-5-12-8(14)7(2)13-9(15)10(3,4)6-11/h7H,5-6H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyAHAKIEPIOLKMOC-UHFFFAOYSA-N
XLogP0.89
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(tert-butylamino)-N-ethylpropanamide
CID 146263926
methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate
CID 115575411
3-chloro-N-(1-hydroxy-3-methylbutan-2-yl)-2,2-dimethylpropanamide
CID 79249535
3-chloro-2,2-dimethyl-N-(1-morpholin-4-yl-1-oxopropan-2-yl)propanamide
CID 113408370
N-ethyl-2-(propan-2-ylcarbamothioylamino)propanamide
CID 115573098
3-chloro-N-[1-(dimethylamino)propan-2-yl]-2,2-dimethylpropanamide
CID 82945442
4-tert-butyl-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 8750199
3-chloro-2,2-dimethyl-N-(2,3,3-trimethylbutyl)propanamide
CID 83141302
(2S)-2-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]-3-methylbutanamide
CID 61154394
3-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2,2-dimethylpropanoic acid
CID 81369309
3-chloro-2,2-dimethyl-N-(1-methylsulfonylpropan-2-yl)propanamide
CID 64630190
2-(cyclopropylcarbamoylamino)-N-ethylpropanamide
CID 115575153

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide (CID 63678646) is 3-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide is CCNC(=O)C(C)NC(=O)C(C)(C)CCl.
What is the InChIKey of 3-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
The InChIKey is AHAKIEPIOLKMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2O2/c1-5-12-8(14)7(2)13-9(15)10(3,4)6-11/h7H,5-6H2,1-4H3,(H,12,14)(H,13,15).
What are the key properties of 3-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide?
3-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide has a molecular weight of 234.73 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 63678646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).