N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-3,4,5-trimethoxybenzamide

C23H29ClN2O4 — CID 58633705

IUPACN-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N[C@@H]2CCC[C@H]2NCCc2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C23H29ClN2O4/c1-28-20-13-16(14-21(29-2)22(20)30-3)23(27)26-19-6-4-5-18(19)25-12-11-15-7-9-17(24)10-8-15/h7-10,13-14,18-19,25H,4-6,11-12H2,1-3H3,(H,26,27)/t18-,19-/m1/s1
InChIKeyYGYTYRGPJANCOR-RTBURBONSA-N
MW432.95 g/mol
LogP3.85
Rot. Bonds9

About N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-3,4,5-trimethoxybenzamide

N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-3,4,5-trimethoxybenzamide (PubChem CID 58633705) has the molecular formula C23H29ClN2O4 and a molecular weight of 432.95 g/mol. Its IUPAC name is N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-3,4,5-trimethoxybenzamide
PubChem CID58633705
Molecular FormulaC23H29ClN2O4
Molecular Weight432.95 g/mol
Exact Mass432.18
IUPAC NameN-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)N[C@@H]2CCC[C@H]2NCCc2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C23H29ClN2O4/c1-28-20-13-16(14-21(29-2)22(20)30-3)23(27)26-19-6-4-5-18(19)25-12-11-15-7-9-17(24)10-8-15/h7-10,13-14,18-19,25H,4-6,11-12H2,1-3H3,(H,26,27)/t18-,19-/m1/s1
InChIKeyYGYTYRGPJANCOR-RTBURBONSA-N
XLogP3.85
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.95
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-3,4,5-trimethoxybenzamide (CID 58633705) is N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)N[C@@H]2CCC[C@H]2NCCc2ccc(Cl)cc2)cc(OC)c1OC.
What is the InChIKey of N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-3,4,5-trimethoxybenzamide?
The InChIKey is YGYTYRGPJANCOR-RTBURBONSA-N. The full InChI is InChI=1S/C23H29ClN2O4/c1-28-20-13-16(14-21(29-2)22(20)30-3)23(27)26-19-6-4-5-18(19)25-12-11-15-7-9-17(24)10-8-15/h7-10,13-14,18-19,25H,4-6,11-12H2,1-3H3,(H,26,27)/t18-,19-/m1/s1.
What are the key properties of N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-3,4,5-trimethoxybenzamide?
N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-3,4,5-trimethoxybenzamide has a molecular weight of 432.95 g/mol, XLogP of 3.85, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-[2-(4-chlorophenyl)ethylamino]cyclopentyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 58633705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).