2-chloro-N-(2-cyclopropyl-2-methoxyethyl)-N-[(3,5-dimethoxyphenyl)methyl]acetamide

C17H24ClNO4 — CID 167971957

IUPAC2-chloro-N-(2-cyclopropyl-2-methoxyethyl)-N-[(3,5-dimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CN(CC(OC)C2CC2)C(=O)CCl)cc(OC)c1
InChIInChI=1S/C17H24ClNO4/c1-21-14-6-12(7-15(8-14)22-2)10-19(17(20)9-18)11-16(23-3)13-4-5-13/h6-8,13,16H,4-5,9-11H2,1-3H3
InChIKeyICHVMQSXWKTMRL-UHFFFAOYSA-N
MW341.84 g/mol
LogP2.70
Rot. Bonds9

About 2-chloro-N-(2-cyclopropyl-2-methoxyethyl)-N-[(3,5-dimethoxyphenyl)methyl]acetamide

2-chloro-N-(2-cyclopropyl-2-methoxyethyl)-N-[(3,5-dimethoxyphenyl)methyl]acetamide (PubChem CID 167971957) has the molecular formula C17H24ClNO4 and a molecular weight of 341.84 g/mol. Its IUPAC name is 2-chloro-N-(2-cyclopropyl-2-methoxyethyl)-N-[(3,5-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyclopropyl-2-methoxyethyl)-N-[(3,5-dimethoxyphenyl)methyl]acetamide
PubChem CID167971957
Molecular FormulaC17H24ClNO4
Molecular Weight341.84 g/mol
Exact Mass341.14
IUPAC Name2-chloro-N-(2-cyclopropyl-2-methoxyethyl)-N-[(3,5-dimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CN(CC(OC)C2CC2)C(=O)CCl)cc(OC)c1
InChIInChI=1S/C17H24ClNO4/c1-21-14-6-12(7-15(8-14)22-2)10-19(17(20)9-18)11-16(23-3)13-4-5-13/h6-8,13,16H,4-5,9-11H2,1-3H3
InChIKeyICHVMQSXWKTMRL-UHFFFAOYSA-N
XLogP2.70
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 52.70
H-Bond Donors ≤ 50
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-[(3-methoxyphenyl)methyl]-N-propylacetamide
CID 39357859
2-[(3,5-dimethoxyphenyl)methyl-(2-ethoxyacetyl)amino]acetic acid
CID 119197506
2-[(3,5-dimethoxyphenyl)methyl-[3-(oxolan-2-yl)propanoyl]amino]acetic acid
CID 119197613
2-chloro-N-(3,5-dimethoxyphenyl)-N-methylacetamide
CID 166414676
2-[(3,5-dimethoxyphenyl)methyl-(4-phenylbutanoyl)amino]acetic acid
CID 119197642
2-[(3,5-dimethoxyphenyl)methyl-[3-(oxan-4-yloxy)propanoyl]amino]acetic acid
CID 120518117
2-chloro-N-(2,2-dicyclopropylethyl)-N-[(3-methyl-1,2-thiazol-5-yl)methyl]acetamide
CID 166424106
2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid
CID 119197685
2-[(3,5-dimethoxyphenyl)methyl-pent-4-enoylamino]acetic acid
CID 119197558
2-[(3,5-dimethoxyphenyl)methyl-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]amino]acetic acid
CID 119197598
2-[(3,5-dimethoxyphenyl)methyl-(5-methyloxolane-2-carbonyl)amino]acetic acid
CID 120518081
methyl 2-[[(1S)-cyclohex-3-ene-1-carbonyl]-[(3,5-dimethoxyphenyl)methyl]amino]acetate
CID 94823719

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyclopropyl-2-methoxyethyl)-N-[(3,5-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-(2-cyclopropyl-2-methoxyethyl)-N-[(3,5-dimethoxyphenyl)methyl]acetamide (CID 167971957) is 2-chloro-N-(2-cyclopropyl-2-methoxyethyl)-N-[(3,5-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-(2-cyclopropyl-2-methoxyethyl)-N-[(3,5-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-(2-cyclopropyl-2-methoxyethyl)-N-[(3,5-dimethoxyphenyl)methyl]acetamide is COc1cc(CN(CC(OC)C2CC2)C(=O)CCl)cc(OC)c1.
What is the InChIKey of 2-chloro-N-(2-cyclopropyl-2-methoxyethyl)-N-[(3,5-dimethoxyphenyl)methyl]acetamide?
The InChIKey is ICHVMQSXWKTMRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO4/c1-21-14-6-12(7-15(8-14)22-2)10-19(17(20)9-18)11-16(23-3)13-4-5-13/h6-8,13,16H,4-5,9-11H2,1-3H3.
What are the key properties of 2-chloro-N-(2-cyclopropyl-2-methoxyethyl)-N-[(3,5-dimethoxyphenyl)methyl]acetamide?
2-chloro-N-(2-cyclopropyl-2-methoxyethyl)-N-[(3,5-dimethoxyphenyl)methyl]acetamide has a molecular weight of 341.84 g/mol, XLogP of 2.70, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyclopropyl-2-methoxyethyl)-N-[(3,5-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 167971957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).