(2S)-N-cyclopentyl-4-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]morpholine-2-carboxamide

C21H31N3O2 — CID 95851830

IUPAC(2S)-N-cyclopentyl-4-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]morpholine-2-carboxamide
SMILESCCN1CCc2cc(CN3CCO[C@H](C(=O)NC4CCCC4)C3)ccc21
InChIInChI=1S/C21H31N3O2/c1-2-24-10-9-17-13-16(7-8-19(17)24)14-23-11-12-26-20(15-23)21(25)22-18-5-3-4-6-18/h7-8,13,18,20H,2-6,9-12,14-15H2,1H3,(H,22,25)/t20-/m0/s1
InChIKeyMEKPDPRBLKRAFY-FQEVSTJZSA-N
MW357.50 g/mol
LogP2.33
Rot. Bonds5

About (2S)-N-cyclopentyl-4-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]morpholine-2-carboxamide

(2S)-N-cyclopentyl-4-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]morpholine-2-carboxamide (PubChem CID 95851830) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-4-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-4-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]morpholine-2-carboxamide
PubChem CID95851830
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name(2S)-N-cyclopentyl-4-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]morpholine-2-carboxamide
SMILESCCN1CCc2cc(CN3CCO[C@H](C(=O)NC4CCCC4)C3)ccc21
InChIInChI=1S/C21H31N3O2/c1-2-24-10-9-17-13-16(7-8-19(17)24)14-23-11-12-26-20(15-23)21(25)22-18-5-3-4-6-18/h7-8,13,18,20H,2-6,9-12,14-15H2,1H3,(H,22,25)/t20-/m0/s1
InChIKeyMEKPDPRBLKRAFY-FQEVSTJZSA-N
XLogP2.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-4-[(3,4-difluorophenyl)methyl]morpholine-2-carboxamide
CID 155981047
(2S)-4-benzyl-N-[(3S)-oxan-3-yl]morpholine-2-carboxamide
CID 99846749
(2S)-N-cyclopentyl-4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine-2-carboxamide
CID 92633348
1-cyclohexyl-3-[2-(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]urea
CID 30379388
4-benzyl-N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-2-carboxamide
CID 58504652
N-cyclopropyl-4-[2-[(4-methylphenyl)methylamino]-2-oxoethyl]morpholine-2-carboxamide
CID 163352376
N-(4-aminocyclohexyl)-4-ethylmorpholine-2-carboxamide;dihydrochloride
CID 119477299
[4-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]morpholin-2-yl]methanamine
CID 114397914
N-cyclopropyl-4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide
CID 155981100
N-(2-adamantyl)-4-[(4-cyanophenyl)methyl]morpholine-2-carboxamide
CID 66557099
methyl 4-[(3,4-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 78926417
1-cyclohexyl-3-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]urea
CID 10272298

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-4-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]morpholine-2-carboxamide?
The IUPAC name of (2S)-N-cyclopentyl-4-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]morpholine-2-carboxamide (CID 95851830) is (2S)-N-cyclopentyl-4-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]morpholine-2-carboxamide.
What is the SMILES notation for (2S)-N-cyclopentyl-4-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]morpholine-2-carboxamide?
The canonical SMILES for (2S)-N-cyclopentyl-4-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]morpholine-2-carboxamide is CCN1CCc2cc(CN3CCO[C@H](C(=O)NC4CCCC4)C3)ccc21.
What is the InChIKey of (2S)-N-cyclopentyl-4-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]morpholine-2-carboxamide?
The InChIKey is MEKPDPRBLKRAFY-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-2-24-10-9-17-13-16(7-8-19(17)24)14-23-11-12-26-20(15-23)21(25)22-18-5-3-4-6-18/h7-8,13,18,20H,2-6,9-12,14-15H2,1H3,(H,22,25)/t20-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-4-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]morpholine-2-carboxamide?
(2S)-N-cyclopentyl-4-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]morpholine-2-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-4-[(1-ethyl-2,3-dihydroindol-5-yl)methyl]morpholine-2-carboxamide is sourced from PubChem (CID 95851830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).