N-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride

C7H14ClNO2 — CID 82966552

IUPACN-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride
SMILESCOCCN(C(=O)Cl)C(C)C
InChIInChI=1S/C7H14ClNO2/c1-6(2)9(7(8)10)4-5-11-3/h6H,4-5H2,1-3H3
InChIKeySUXMUDCBSQFZNQ-UHFFFAOYSA-N
MW179.65 g/mol
LogP1.70
Rot. Bonds4

About N-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride

N-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride (PubChem CID 82966552) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride
PubChem CID82966552
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC NameN-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride
SMILESCOCCN(C(=O)Cl)C(C)C
InChIInChI=1S/C7H14ClNO2/c1-6(2)9(7(8)10)4-5-11-3/h6H,4-5H2,1-3H3
InChIKeySUXMUDCBSQFZNQ-UHFFFAOYSA-N
XLogP1.70
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-oxo-N-propan-2-ylbutanamide
CID 82948688
(2R)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948774
(2S)-2-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948115
N-(2-methoxyethyl)-N-(2-methylpropyl)carbamoyl chloride
CID 79886466
(2R)-2-amino-N-(2-methoxyethyl)-N-propan-2-ylbutanamide
CID 82949069
4-[2-methoxyethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 82948546
2-methoxyethyl(propan-2-yl)carbamodithioic acid
CID 87357672
4-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948012
2-(ethylamino)-N-(2-methoxyethyl)-2-methyl-N-propan-2-ylpropanamide
CID 82948013
3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 82951243
3-amino-N-(2-methoxyethyl)-2,2-dimethyl-N-propan-2-yl-3-sulfanylidenepropanamide
CID 82948415
4-hydroxy-N-(2-methoxyethyl)-N-propan-2-ylpyrrolidine-2-carboxamide
CID 82948394

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride?
The IUPAC name of N-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride (CID 82966552) is N-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride.
What is the SMILES notation for N-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride?
The canonical SMILES for N-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride is COCCN(C(=O)Cl)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride?
The InChIKey is SUXMUDCBSQFZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14ClNO2/c1-6(2)9(7(8)10)4-5-11-3/h6H,4-5H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride?
N-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride has a molecular weight of 179.65 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-propan-2-ylcarbamoyl chloride is sourced from PubChem (CID 82966552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).