2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]acetamide

C9H18ClN3O3 — CID 62848521

IUPAC2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]acetamide
SMILESCOCCN(C)CCNC(=O)NC(=O)CCl
InChIInChI=1S/C9H18ClN3O3/c1-13(5-6-16-2)4-3-11-9(15)12-8(14)7-10/h3-7H2,1-2H3,(H2,11,12,14,15)
InChIKeyIRSDUHWOEORTGC-UHFFFAOYSA-N
MW251.71 g/mol
LogP-0.37
Rot. Bonds7

About 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]acetamide

2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]acetamide (PubChem CID 62848521) has the molecular formula C9H18ClN3O3 and a molecular weight of 251.71 g/mol. Its IUPAC name is 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]acetamide
PubChem CID62848521
Molecular FormulaC9H18ClN3O3
Molecular Weight251.71 g/mol
Exact Mass251.10
IUPAC Name2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]acetamide
SMILESCOCCN(C)CCNC(=O)NC(=O)CCl
InChIInChI=1S/C9H18ClN3O3/c1-13(5-6-16-2)4-3-11-9(15)12-8(14)7-10/h3-7H2,1-2H3,(H2,11,12,14,15)
InChIKeyIRSDUHWOEORTGC-UHFFFAOYSA-N
XLogP-0.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-(dimethylamino)ethylcarbamoyl]acetamide
CID 43146174
4-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]butanoic acid
CID 55126918
2-methoxy-N-[2-[2-methoxyethyl(methyl)amino]ethyl]propanamide
CID 115605846
7-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]heptanoic acid
CID 62850101
ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]acetate
CID 62851170
tert-butyl N-[2-[2-methoxyethyl(methyl)amino]ethyl]carbamate
CID 65142937
2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethoxy]acetic acid
CID 62842947
(2R)-2-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103927982
2-[2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569874
1-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 62849750
N-(ethylcarbamoyl)-2-[2-[2-methoxyethyl(methyl)amino]ethylamino]propanamide
CID 55127056
2-[[2-[2-methoxyethyl(methyl)amino]ethylcarbamoylamino]methyl]pentanoic acid
CID 65221921

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]acetamide?
The IUPAC name of 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]acetamide (CID 62848521) is 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]acetamide is COCCN(C)CCNC(=O)NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]acetamide?
The InChIKey is IRSDUHWOEORTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN3O3/c1-13(5-6-16-2)4-3-11-9(15)12-8(14)7-10/h3-7H2,1-2H3,(H2,11,12,14,15).
What are the key properties of 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]acetamide?
2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]acetamide has a molecular weight of 251.71 g/mol, XLogP of -0.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[2-methoxyethyl(methyl)amino]ethylcarbamoyl]acetamide is sourced from PubChem (CID 62848521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).