2-chloro-N-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]propanamide

C8H14ClN3O3 — CID 43311123

IUPAC2-chloro-N-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)NCC(=O)N(C)C
InChIInChI=1S/C8H14ClN3O3/c1-5(9)7(14)11-8(15)10-4-6(13)12(2)3/h5H,4H2,1-3H3,(H2,10,11,14,15)
InChIKeyHCTPHIMOCRYVDT-UHFFFAOYSA-N
MW235.67 g/mol
LogP-0.47
Rot. Bonds3

About 2-chloro-N-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]propanamide

2-chloro-N-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]propanamide (PubChem CID 43311123) has the molecular formula C8H14ClN3O3 and a molecular weight of 235.67 g/mol. Its IUPAC name is 2-chloro-N-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]propanamide
PubChem CID43311123
Molecular FormulaC8H14ClN3O3
Molecular Weight235.67 g/mol
Exact Mass235.07
IUPAC Name2-chloro-N-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]propanamide
SMILESCC(Cl)C(=O)NC(=O)NCC(=O)N(C)C
InChIInChI=1S/C8H14ClN3O3/c1-5(9)7(14)11-8(15)10-4-6(13)12(2)3/h5H,4H2,1-3H3,(H2,10,11,14,15)
InChIKeyHCTPHIMOCRYVDT-UHFFFAOYSA-N
XLogP-0.47
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.67
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[[2-(ethylamino)-2-oxoethyl]carbamoyl]propanamide
CID 43566494
2-(3,3-dimethylbutan-2-ylcarbamoylamino)-N,N-dimethylacetamide
CID 143361850
5-(2-chloropropanoylcarbamoylamino)pentanamide
CID 106239873
2-chloro-N-(7-methyloctylcarbamoyl)propanamide
CID 114004357
(2S)-2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-3-methylpentanoic acid
CID 61197820
3-(2-chloropropanoylcarbamoylamino)-N,2,2-trimethylpropanamide
CID 106279493
N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(methylamino)butanamide;ethane
CID 162738491
5-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-methylpentanoic acid
CID 82688722
ethyl 2-(2-chloropropanoylcarbamoylamino)propanoate
CID 61498837
2-[[2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]acetyl]amino]acetic acid
CID 61197433
2-chloro-N-(3-propoxypropylcarbamoyl)propanamide
CID 82943855
N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-2-(pentan-3-ylamino)butanamide
CID 129041586

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]propanamide?
The IUPAC name of 2-chloro-N-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]propanamide (CID 43311123) is 2-chloro-N-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]propanamide.
What is the SMILES notation for 2-chloro-N-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]propanamide?
The canonical SMILES for 2-chloro-N-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]propanamide is CC(Cl)C(=O)NC(=O)NCC(=O)N(C)C.
What is the InChIKey of 2-chloro-N-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]propanamide?
The InChIKey is HCTPHIMOCRYVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN3O3/c1-5(9)7(14)11-8(15)10-4-6(13)12(2)3/h5H,4H2,1-3H3,(H2,10,11,14,15).
What are the key properties of 2-chloro-N-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]propanamide?
2-chloro-N-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]propanamide has a molecular weight of 235.67 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-(dimethylamino)-2-oxoethyl]carbamoyl]propanamide is sourced from PubChem (CID 43311123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).