(3R)-3-[(2S)-2-hydroxypropyl]-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]morpholine-4-carboxamide

C19H28N2O3 — CID 124728457

IUPAC(3R)-3-[(2S)-2-hydroxypropyl]-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]morpholine-4-carboxamide
SMILESC[C@H](O)C[C@@H]1COCCN1C(=O)N[C@H]1CCCCc2ccccc21
InChIInChI=1S/C19H28N2O3/c1-14(22)12-16-13-24-11-10-21(16)19(23)20-18-9-5-3-7-15-6-2-4-8-17(15)18/h2,4,6,8,14,16,18,22H,3,5,7,9-13H2,1H3,(H,20,23)/t14-,16+,18-/m0/s1
InChIKeyDPYMFAUMOQLLHV-LESCRADOSA-N
MW332.44 g/mol
LogP2.64
Rot. Bonds3

About (3R)-3-[(2S)-2-hydroxypropyl]-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]morpholine-4-carboxamide

(3R)-3-[(2S)-2-hydroxypropyl]-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]morpholine-4-carboxamide (PubChem CID 124728457) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is (3R)-3-[(2S)-2-hydroxypropyl]-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name(3R)-3-[(2S)-2-hydroxypropyl]-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]morpholine-4-carboxamide
PubChem CID124728457
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name(3R)-3-[(2S)-2-hydroxypropyl]-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]morpholine-4-carboxamide
SMILESC[C@H](O)C[C@@H]1COCCN1C(=O)N[C@H]1CCCCc2ccccc21
InChIInChI=1S/C19H28N2O3/c1-14(22)12-16-13-24-11-10-21(16)19(23)20-18-9-5-3-7-15-6-2-4-8-17(15)18/h2,4,6,8,14,16,18,22H,3,5,7,9-13H2,1H3,(H,20,23)/t14-,16+,18-/m0/s1
InChIKeyDPYMFAUMOQLLHV-LESCRADOSA-N
XLogP2.64
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-3-[(2S)-2-hydroxypropyl]-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]morpholine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-N-[(1R,3aR)-1,2,3,3a,4,5-hexahydroacenaphthylen-1-yl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 100603812
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine-4-carboxamide
CID 40653878
(3R)-N-[(1R)-1-(furan-2-yl)ethyl]-3-[(2S)-2-hydroxypropyl]morpholine-4-carboxamide
CID 98871019
N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-1-carboxamide
CID 54412767
(3S)-3-(2-methylpropyl)-N-phenylmorpholine-4-carboxamide
CID 95904890
1-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]piperidine-1,4-dicarboxamide
CID 95351345
(2S)-2-propan-2-ylsulfonyl-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
CID 94809577
2,2-dimethyl-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]propanamide
CID 166867733
(3S)-3-[(2S)-2-hydroxypropyl]-N-[(2S,4S)-4-methylhexan-2-yl]morpholine-4-carboxamide
CID 129429318
(2S)-2-amino-4-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanamide
CID 61155981
(3R)-3-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]-N-(5,6,7,8-tetrahydronaphthalen-1-yl)morpholine-4-carboxamide
CID 99630364
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 4781124

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(2S)-2-hydroxypropyl]-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]morpholine-4-carboxamide?
The IUPAC name of (3R)-3-[(2S)-2-hydroxypropyl]-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]morpholine-4-carboxamide (CID 124728457) is (3R)-3-[(2S)-2-hydroxypropyl]-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]morpholine-4-carboxamide.
What is the SMILES notation for (3R)-3-[(2S)-2-hydroxypropyl]-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]morpholine-4-carboxamide?
The canonical SMILES for (3R)-3-[(2S)-2-hydroxypropyl]-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]morpholine-4-carboxamide is C[C@H](O)C[C@@H]1COCCN1C(=O)N[C@H]1CCCCc2ccccc21.
What is the InChIKey of (3R)-3-[(2S)-2-hydroxypropyl]-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]morpholine-4-carboxamide?
The InChIKey is DPYMFAUMOQLLHV-LESCRADOSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-14(22)12-16-13-24-11-10-21(16)19(23)20-18-9-5-3-7-15-6-2-4-8-17(15)18/h2,4,6,8,14,16,18,22H,3,5,7,9-13H2,1H3,(H,20,23)/t14-,16+,18-/m0/s1.
What are the key properties of (3R)-3-[(2S)-2-hydroxypropyl]-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]morpholine-4-carboxamide?
(3R)-3-[(2S)-2-hydroxypropyl]-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]morpholine-4-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(2S)-2-hydroxypropyl]-N-[(5S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]morpholine-4-carboxamide is sourced from PubChem (CID 124728457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).