2-(4-chlorophenyl)-2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]-N-methylacetamide

C19H28ClN3O2 — CID 17460115

IUPAC2-(4-chlorophenyl)-2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)C(c1ccc(Cl)cc1)N(C)CC(=O)NCC1CCCCC1
InChIInChI=1S/C19H28ClN3O2/c1-21-19(25)18(15-8-10-16(20)11-9-15)23(2)13-17(24)22-12-14-6-4-3-5-7-14/h8-11,14,18H,3-7,12-13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeySZXBMRGMITVTHF-UHFFFAOYSA-N
MW365.91 g/mol
LogP2.76
Rot. Bonds7

About 2-(4-chlorophenyl)-2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]-N-methylacetamide

2-(4-chlorophenyl)-2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]-N-methylacetamide (PubChem CID 17460115) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]-N-methylacetamide
PubChem CID17460115
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name2-(4-chlorophenyl)-2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]-N-methylacetamide
SMILESCNC(=O)C(c1ccc(Cl)cc1)N(C)CC(=O)NCC1CCCCC1
InChIInChI=1S/C19H28ClN3O2/c1-21-19(25)18(15-8-10-16(20)11-9-15)23(2)13-17(24)22-12-14-6-4-3-5-7-14/h8-11,14,18H,3-7,12-13H2,1-2H3,(H,21,25)(H,22,24)
InChIKeySZXBMRGMITVTHF-UHFFFAOYSA-N
XLogP2.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]-N-methylacetamide?
The IUPAC name of 2-(4-chlorophenyl)-2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]-N-methylacetamide (CID 17460115) is 2-(4-chlorophenyl)-2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]-N-methylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]-N-methylacetamide is CNC(=O)C(c1ccc(Cl)cc1)N(C)CC(=O)NCC1CCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]-N-methylacetamide?
The InChIKey is SZXBMRGMITVTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-21-19(25)18(15-8-10-16(20)11-9-15)23(2)13-17(24)22-12-14-6-4-3-5-7-14/h8-11,14,18H,3-7,12-13H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of 2-(4-chlorophenyl)-2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]-N-methylacetamide?
2-(4-chlorophenyl)-2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]-N-methylacetamide has a molecular weight of 365.91 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[[2-(cyclohexylmethylamino)-2-oxoethyl]-methylamino]-N-methylacetamide is sourced from PubChem (CID 17460115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).