(2R)-N-[(1R)-1-[3-chloro-1-(3-methoxypropyl)indol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide

C22H30ClN3O3 — CID 66551640

IUPAC(2R)-N-[(1R)-1-[3-chloro-1-(3-methoxypropyl)indol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESCOCCCn1cc(Cl)c2ccc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
InChIInChI=1S/C22H30ClN3O3/c1-15(26(17-5-6-17)22(27)21-13-24-8-11-29-21)16-4-7-18-19(23)14-25(20(18)12-16)9-3-10-28-2/h4,7,12,14-15,17,21,24H,3,5-6,8-11,13H2,1-2H3/t15-,21-/m1/s1
InChIKeyKJUYFYOMMZGATM-QVKFZJNVSA-N
MW419.95 g/mol
LogP3.37
Rot. Bonds8

About (2R)-N-[(1R)-1-[3-chloro-1-(3-methoxypropyl)indol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide

(2R)-N-[(1R)-1-[3-chloro-1-(3-methoxypropyl)indol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide (PubChem CID 66551640) has the molecular formula C22H30ClN3O3 and a molecular weight of 419.95 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-[3-chloro-1-(3-methoxypropyl)indol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-[3-chloro-1-(3-methoxypropyl)indol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
PubChem CID66551640
Molecular FormulaC22H30ClN3O3
Molecular Weight419.95 g/mol
Exact Mass419.20
IUPAC Name(2R)-N-[(1R)-1-[3-chloro-1-(3-methoxypropyl)indol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
SMILESCOCCCn1cc(Cl)c2ccc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21
InChIInChI=1S/C22H30ClN3O3/c1-15(26(17-5-6-17)22(27)21-13-24-8-11-29-21)16-4-7-18-19(23)14-25(20(18)12-16)9-3-10-28-2/h4,7,12,14-15,17,21,24H,3,5-6,8-11,13H2,1-2H3/t15-,21-/m1/s1
InChIKeyKJUYFYOMMZGATM-QVKFZJNVSA-N
XLogP3.37
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.95
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-[3-chloro-1-(3-methoxypropyl)indol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The IUPAC name of (2R)-N-[(1R)-1-[3-chloro-1-(3-methoxypropyl)indol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide (CID 66551640) is (2R)-N-[(1R)-1-[3-chloro-1-(3-methoxypropyl)indol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1R)-1-[3-chloro-1-(3-methoxypropyl)indol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1R)-1-[3-chloro-1-(3-methoxypropyl)indol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide is COCCCn1cc(Cl)c2ccc([C@@H](C)N(C(=O)[C@H]3CNCCO3)C3CC3)cc21.
What is the InChIKey of (2R)-N-[(1R)-1-[3-chloro-1-(3-methoxypropyl)indol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
The InChIKey is KJUYFYOMMZGATM-QVKFZJNVSA-N. The full InChI is InChI=1S/C22H30ClN3O3/c1-15(26(17-5-6-17)22(27)21-13-24-8-11-29-21)16-4-7-18-19(23)14-25(20(18)12-16)9-3-10-28-2/h4,7,12,14-15,17,21,24H,3,5-6,8-11,13H2,1-2H3/t15-,21-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-[3-chloro-1-(3-methoxypropyl)indol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide?
(2R)-N-[(1R)-1-[3-chloro-1-(3-methoxypropyl)indol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide has a molecular weight of 419.95 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1R)-1-[3-chloro-1-(3-methoxypropyl)indol-6-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide is sourced from PubChem (CID 66551640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).