(2R)-N-cyclopropyl-N-[(2R)-1-[3-fluoro-2-(4-hydroxybutylamino)phenyl]-1-iminopropan-2-yl]morpholine-2-carboxamide

C21H31FN4O3 — CID 144588397

IUPAC(2R)-N-cyclopropyl-N-[(2R)-1-[3-fluoro-2-(4-hydroxybutylamino)phenyl]-1-iminopropan-2-yl]morpholine-2-carboxamide
SMILES[H]/N=C(/c1cccc(F)c1NCCCCO)[C@@H](C)N(C(=O)[C@H]1CNCCO1)C1CC1
InChIInChI=1S/C21H31FN4O3/c1-14(26(15-7-8-15)21(28)18-13-24-10-12-29-18)19(23)16-5-4-6-17(22)20(16)25-9-2-3-11-27/h4-6,14-15,18,23-25,27H,2-3,7-13H2,1H3/b23-19+/t14-,18-/m1/s1
InChIKeyFWYOYJABDDVSBR-HIZANQFRSA-N
MW406.50 g/mol
LogP1.75
Rot. Bonds10

About (2R)-N-cyclopropyl-N-[(2R)-1-[3-fluoro-2-(4-hydroxybutylamino)phenyl]-1-iminopropan-2-yl]morpholine-2-carboxamide

(2R)-N-cyclopropyl-N-[(2R)-1-[3-fluoro-2-(4-hydroxybutylamino)phenyl]-1-iminopropan-2-yl]morpholine-2-carboxamide (PubChem CID 144588397) has the molecular formula C21H31FN4O3 and a molecular weight of 406.50 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[(2R)-1-[3-fluoro-2-(4-hydroxybutylamino)phenyl]-1-iminopropan-2-yl]morpholine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[(2R)-1-[3-fluoro-2-(4-hydroxybutylamino)phenyl]-1-iminopropan-2-yl]morpholine-2-carboxamide
PubChem CID144588397
Molecular FormulaC21H31FN4O3
Molecular Weight406.50 g/mol
Exact Mass406.24
IUPAC Name(2R)-N-cyclopropyl-N-[(2R)-1-[3-fluoro-2-(4-hydroxybutylamino)phenyl]-1-iminopropan-2-yl]morpholine-2-carboxamide
SMILES[H]/N=C(/c1cccc(F)c1NCCCCO)[C@@H](C)N(C(=O)[C@H]1CNCCO1)C1CC1
InChIInChI=1S/C21H31FN4O3/c1-14(26(15-7-8-15)21(28)18-13-24-10-12-29-18)19(23)16-5-4-6-17(22)20(16)25-9-2-3-11-27/h4-6,14-15,18,23-25,27H,2-3,7-13H2,1H3/b23-19+/t14-,18-/m1/s1
InChIKeyFWYOYJABDDVSBR-HIZANQFRSA-N
XLogP1.75
TPSA97.68 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.50
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (2R)-N-cyclopropyl-N-[(2R)-1-[3-fluoro-2-(4-hydroxybutylamino)phenyl]-1-iminopropan-2-yl]morpholine-2-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

(2R)-N-[(2R)-1-[2-(3-aminopropylamino)-6-[(dimethylamino)methyl]-3-pyridinyl]-1-iminopropan-2-yl]-N-cyclopropylmorpholine-2-carboxamide
CID 90065152
(2R)-N-cyclopropyl-N-[(1R)-1-[5-(2-fluorophenyl)-4-[3-(hydroxyamino)propyl]thiophen-2-yl]ethyl]morpholine-2-carboxamide
CID 90065178
(2R)-N-[(1R)-1-[4-butyl-5-(3-fluoro-2-hydroxyphenyl)thiophen-2-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
CID 144588370
methyl N-[3-[5-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-2-(3-fluoro-2-hydroxyphenyl)thiophen-3-yl]propyl]carbamate
CID 90065299
(2R)-N-[(Z,2R)-3-amino-5-(butylamino)-5-(3-fluorophenyl)pent-4-en-2-yl]-N-cyclopropylmorpholine-2-carboxamide
CID 144588393
3-fluoro-2-(4-hydroxybutylamino)benzoic acid
CID 106842392
(2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropoxy)-4-methylphenyl]ethyl]morpholine-2-carboxamide
CID 66551637
2-[3-(3-aminopropyl)-5-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]thiophen-2-yl]benzoic acid
CID 90065146
methyl N-[3-[[3-[(2R)-2-[cyclopropyl-[(2R,5S)-5-(methoxymethyl)morpholine-2-carbonyl]amino]propanimidoyl]-6-methyl-2-pyridinyl]amino]propyl]carbamate
CID 118313212
methyl N-[3-[6-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]-1-[3-[1-[2-[5-[(2R)-2-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]propanimidoyl]-6-[3-(hydroxyamino)propylamino]-2-pyridinyl]cyclopropyl]ethoxy]propyl]pyrrolo[3,2-c]pyridin-3-yl]propyl]carbamate
CID 90065195
azane;methyl N-[3-[2-(4-carbamimidoylphenyl)-5-[(1R)-1-[cyclopropyl-[(2R)-morpholine-2-carbonyl]amino]ethyl]thiophen-3-yl]propyl]carbamate
CID 162126898
(2R)-N-[(1R)-1-[3-(3-aminopropyl)-2-phenyl-1,5-dihydropyrazol-5-yl]ethyl]-N-cyclopropylmorpholine-2-carboxamide
CID 90065237

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-N-[(2R)-1-[3-fluoro-2-(4-hydroxybutylamino)phenyl]-1-iminopropan-2-yl]morpholine-2-carboxamide?
The IUPAC name of (2R)-N-cyclopropyl-N-[(2R)-1-[3-fluoro-2-(4-hydroxybutylamino)phenyl]-1-iminopropan-2-yl]morpholine-2-carboxamide (CID 144588397) is (2R)-N-cyclopropyl-N-[(2R)-1-[3-fluoro-2-(4-hydroxybutylamino)phenyl]-1-iminopropan-2-yl]morpholine-2-carboxamide.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[(2R)-1-[3-fluoro-2-(4-hydroxybutylamino)phenyl]-1-iminopropan-2-yl]morpholine-2-carboxamide?
The canonical SMILES for (2R)-N-cyclopropyl-N-[(2R)-1-[3-fluoro-2-(4-hydroxybutylamino)phenyl]-1-iminopropan-2-yl]morpholine-2-carboxamide is [H]/N=C(/c1cccc(F)c1NCCCCO)[C@@H](C)N(C(=O)[C@H]1CNCCO1)C1CC1.
What is the InChIKey of (2R)-N-cyclopropyl-N-[(2R)-1-[3-fluoro-2-(4-hydroxybutylamino)phenyl]-1-iminopropan-2-yl]morpholine-2-carboxamide?
The InChIKey is FWYOYJABDDVSBR-HIZANQFRSA-N. The full InChI is InChI=1S/C21H31FN4O3/c1-14(26(15-7-8-15)21(28)18-13-24-10-12-29-18)19(23)16-5-4-6-17(22)20(16)25-9-2-3-11-27/h4-6,14-15,18,23-25,27H,2-3,7-13H2,1H3/b23-19+/t14-,18-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-N-[(2R)-1-[3-fluoro-2-(4-hydroxybutylamino)phenyl]-1-iminopropan-2-yl]morpholine-2-carboxamide?
(2R)-N-cyclopropyl-N-[(2R)-1-[3-fluoro-2-(4-hydroxybutylamino)phenyl]-1-iminopropan-2-yl]morpholine-2-carboxamide has a molecular weight of 406.50 g/mol, XLogP of 1.75, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-N-[(2R)-1-[3-fluoro-2-(4-hydroxybutylamino)phenyl]-1-iminopropan-2-yl]morpholine-2-carboxamide is sourced from PubChem (CID 144588397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).