2-[(2-chloroacetyl)-cyclopropylamino]-2-(3-methoxy-4-propan-2-yloxyphenyl)-N-(4-methylcyclohexyl)acetamide

C24H35ClN2O4 — CID 86809998

IUPAC2-[(2-chloroacetyl)-cyclopropylamino]-2-(3-methoxy-4-propan-2-yloxyphenyl)-N-(4-methylcyclohexyl)acetamide
SMILESCOc1cc(C(C(=O)NC2CCC(C)CC2)N(C(=O)CCl)C2CC2)ccc1OC(C)C
InChIInChI=1S/C24H35ClN2O4/c1-15(2)31-20-12-7-17(13-21(20)30-4)23(27(19-10-11-19)22(28)14-25)24(29)26-18-8-5-16(3)6-9-18/h7,12-13,15-16,18-19,23H,5-6,8-11,14H2,1-4H3,(H,26,29)
InChIKeyFMYJNERDXCSNJN-UHFFFAOYSA-N
MW451.01 g/mol
LogP4.45
Rot. Bonds9

About 2-[(2-chloroacetyl)-cyclopropylamino]-2-(3-methoxy-4-propan-2-yloxyphenyl)-N-(4-methylcyclohexyl)acetamide

2-[(2-chloroacetyl)-cyclopropylamino]-2-(3-methoxy-4-propan-2-yloxyphenyl)-N-(4-methylcyclohexyl)acetamide (PubChem CID 86809998) has the molecular formula C24H35ClN2O4 and a molecular weight of 451.01 g/mol. Its IUPAC name is 2-[(2-chloroacetyl)-cyclopropylamino]-2-(3-methoxy-4-propan-2-yloxyphenyl)-N-(4-methylcyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(2-chloroacetyl)-cyclopropylamino]-2-(3-methoxy-4-propan-2-yloxyphenyl)-N-(4-methylcyclohexyl)acetamide
PubChem CID86809998
Molecular FormulaC24H35ClN2O4
Molecular Weight451.01 g/mol
Exact Mass450.23
IUPAC Name2-[(2-chloroacetyl)-cyclopropylamino]-2-(3-methoxy-4-propan-2-yloxyphenyl)-N-(4-methylcyclohexyl)acetamide
SMILESCOc1cc(C(C(=O)NC2CCC(C)CC2)N(C(=O)CCl)C2CC2)ccc1OC(C)C
InChIInChI=1S/C24H35ClN2O4/c1-15(2)31-20-12-7-17(13-21(20)30-4)23(27(19-10-11-19)22(28)14-25)24(29)26-18-8-5-16(3)6-9-18/h7,12-13,15-16,18-19,23H,5-6,8-11,14H2,1-4H3,(H,26,29)
InChIKeyFMYJNERDXCSNJN-UHFFFAOYSA-N
XLogP4.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.01
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloroacetyl)-(thiophen-2-ylmethyl)amino]-2-(3-methoxy-4-propan-2-yloxyphenyl)-N-(4-methylcyclohexyl)acetamide
CID 86809995
(2R)-2-[1,3-benzodioxol-5-ylmethyl-(2-chloroacetyl)amino]-2-(3-methoxy-4-propan-2-yloxyphenyl)-N-(4-methylcyclohexyl)acetamide
CID 98364138
2-[(2-chloroacetyl)-cyclopropylamino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 3540354
2-[(2-chloroacetyl)-[(4-fluorophenyl)methyl]amino]-2-(3-methoxy-4-propoxyphenyl)-N-(4-methylcyclohexyl)acetamide
CID 86809966
(2R)-2-[(2-chloroacetyl)-[2-(3,4-dimethoxyphenyl)ethyl]amino]-2-(3-methoxy-4-propoxyphenyl)-N-(4-methylcyclohexyl)acetamide
CID 98364157
2-[(2-chloroacetyl)-(2-phenylethyl)amino]-2-(3-methoxy-4-propoxyphenyl)-N-(4-methylcyclohexyl)acetamide
CID 86810008
(2R)-2-[(2-chloroacetyl)-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]amino]-N-cyclohexyl-2-(3-methoxy-4-propan-2-yloxyphenyl)acetamide
CID 98364095
3-(3-methoxy-4-propan-2-yloxyphenyl)-N-(4-methylcyclohexyl)prop-2-enamide
CID 74514644
2-[(2-chloroacetyl)-propylamino]-N-cyclohexyl-2-(3-methoxy-4-propoxyphenyl)acetamide
CID 86809909
2-[butyl-(2-chloroacetyl)amino]-N-cycloheptyl-2-(3-methoxy-4-propoxyphenyl)acetamide
CID 86810096
2-[(2-chloroacetyl)-cyclopentylamino]-N-cyclohexyl-2-(4-methylphenyl)acetamide
CID 4276966
2-[(2-chloroacetyl)-cyclohexylamino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 3441709

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloroacetyl)-cyclopropylamino]-2-(3-methoxy-4-propan-2-yloxyphenyl)-N-(4-methylcyclohexyl)acetamide?
The IUPAC name of 2-[(2-chloroacetyl)-cyclopropylamino]-2-(3-methoxy-4-propan-2-yloxyphenyl)-N-(4-methylcyclohexyl)acetamide (CID 86809998) is 2-[(2-chloroacetyl)-cyclopropylamino]-2-(3-methoxy-4-propan-2-yloxyphenyl)-N-(4-methylcyclohexyl)acetamide.
What is the SMILES notation for 2-[(2-chloroacetyl)-cyclopropylamino]-2-(3-methoxy-4-propan-2-yloxyphenyl)-N-(4-methylcyclohexyl)acetamide?
The canonical SMILES for 2-[(2-chloroacetyl)-cyclopropylamino]-2-(3-methoxy-4-propan-2-yloxyphenyl)-N-(4-methylcyclohexyl)acetamide is COc1cc(C(C(=O)NC2CCC(C)CC2)N(C(=O)CCl)C2CC2)ccc1OC(C)C.
What is the InChIKey of 2-[(2-chloroacetyl)-cyclopropylamino]-2-(3-methoxy-4-propan-2-yloxyphenyl)-N-(4-methylcyclohexyl)acetamide?
The InChIKey is FMYJNERDXCSNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClN2O4/c1-15(2)31-20-12-7-17(13-21(20)30-4)23(27(19-10-11-19)22(28)14-25)24(29)26-18-8-5-16(3)6-9-18/h7,12-13,15-16,18-19,23H,5-6,8-11,14H2,1-4H3,(H,26,29).
What are the key properties of 2-[(2-chloroacetyl)-cyclopropylamino]-2-(3-methoxy-4-propan-2-yloxyphenyl)-N-(4-methylcyclohexyl)acetamide?
2-[(2-chloroacetyl)-cyclopropylamino]-2-(3-methoxy-4-propan-2-yloxyphenyl)-N-(4-methylcyclohexyl)acetamide has a molecular weight of 451.01 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloroacetyl)-cyclopropylamino]-2-(3-methoxy-4-propan-2-yloxyphenyl)-N-(4-methylcyclohexyl)acetamide is sourced from PubChem (CID 86809998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).