(2R)-N-cyclopropyl-N-[[3-(3-methoxypropoxy)-5-phenylmethoxyphenyl]methyl]morpholine-2-carboxamide;hydrochloride

C26H35ClN2O5 — CID 67543478

IUPAC(2R)-N-cyclopropyl-N-[[3-(3-methoxypropoxy)-5-phenylmethoxyphenyl]methyl]morpholine-2-carboxamide;hydrochloride
SMILESCOCCCOc1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)cc(OCc2ccccc2)c1.Cl
InChIInChI=1S/C26H34N2O5.ClH/c1-30-11-5-12-31-23-14-21(15-24(16-23)33-19-20-6-3-2-4-7-20)18-28(22-8-9-22)26(29)25-17-27-10-13-32-25;/h2-4,6-7,14-16,22,25,27H,5,8-13,17-19H2,1H3;1H/t25-;/m1./s1
InChIKeyDWNSZSRPDXHJGO-VQIWEWKSSA-N
MW491.03 g/mol
LogP3.58
Rot. Bonds12

About (2R)-N-cyclopropyl-N-[[3-(3-methoxypropoxy)-5-phenylmethoxyphenyl]methyl]morpholine-2-carboxamide;hydrochloride

(2R)-N-cyclopropyl-N-[[3-(3-methoxypropoxy)-5-phenylmethoxyphenyl]methyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 67543478) has the molecular formula C26H35ClN2O5 and a molecular weight of 491.03 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-N-[[3-(3-methoxypropoxy)-5-phenylmethoxyphenyl]methyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-N-[[3-(3-methoxypropoxy)-5-phenylmethoxyphenyl]methyl]morpholine-2-carboxamide;hydrochloride
PubChem CID67543478
Molecular FormulaC26H35ClN2O5
Molecular Weight491.03 g/mol
Exact Mass490.22
IUPAC Name(2R)-N-cyclopropyl-N-[[3-(3-methoxypropoxy)-5-phenylmethoxyphenyl]methyl]morpholine-2-carboxamide;hydrochloride
SMILESCOCCCOc1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)cc(OCc2ccccc2)c1.Cl
InChIInChI=1S/C26H34N2O5.ClH/c1-30-11-5-12-31-23-14-21(15-24(16-23)33-19-20-6-3-2-4-7-20)18-28(22-8-9-22)26(29)25-17-27-10-13-32-25;/h2-4,6-7,14-16,22,25,27H,5,8-13,17-19H2,1H3;1H/t25-;/m1./s1
InChIKeyDWNSZSRPDXHJGO-VQIWEWKSSA-N
XLogP3.58
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.03
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2R)-N-cyclopropyl-N-[[3-(3-methoxypropoxy)-5-phenylmethoxyphenyl]methyl]morpholine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

(2R)-N-cyclopropyl-N-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]morpholine-2-carboxamide
CID 59494191
N-(2-methoxyethyl)-N-(3-phenylpropyl)morpholine-2-carboxamide
CID 119756078
N-[[4-chloro-1-(3-methoxypropyl)indazol-6-yl]methyl]-N-cyclopropylmorpholine-2-carboxamide
CID 59494659
N-cyclopentyl-N-[(2-methoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 154909292
N-cyclopropyl-N-[[4-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119715128
(2R)-N-cyclopropyl-N-[[1-(3-methoxypropyl)-4-phenylpyrrolo[2,3-b]pyridin-3-yl]methyl]morpholine-2-carboxamide
CID 59494309
N-cyclopropyl-N-[[1-[(3-methoxyphenyl)methyl]indol-3-yl]methyl]morpholine-2-carboxamide
CID 59494835
(2R)-N-cyclopropyl-N-[(1R)-1-[3-(3-methoxypropoxy)-4-methylphenyl]ethyl]morpholine-2-carboxamide
CID 66551637
N-cyclopropyl-N-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]-4-(3-phenylphenyl)-1,2,3,6-tetrahydropyridine-5-carboxamide
CID 11526556
N-benzyl-N-butan-2-ylmorpholine-2-carboxamide;hydrochloride
CID 119688848
(2R)-N-cyclopropyl-N-[(1R)-1-[4-ethyl-3-(3-methoxypropoxy)phenyl]ethyl]morpholine-2-carboxamide
CID 118313065
2-[(3S,4S,5R)-5-[cyclopropyl-[[3-methoxy-5-(3-methoxypropoxy)phenyl]methyl]carbamoyl]-4-(3-phenylphenyl)piperidin-3-yl]oxyacetic acid
CID 11848056

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-N-[[3-(3-methoxypropoxy)-5-phenylmethoxyphenyl]methyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-cyclopropyl-N-[[3-(3-methoxypropoxy)-5-phenylmethoxyphenyl]methyl]morpholine-2-carboxamide;hydrochloride (CID 67543478) is (2R)-N-cyclopropyl-N-[[3-(3-methoxypropoxy)-5-phenylmethoxyphenyl]methyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-cyclopropyl-N-[[3-(3-methoxypropoxy)-5-phenylmethoxyphenyl]methyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-cyclopropyl-N-[[3-(3-methoxypropoxy)-5-phenylmethoxyphenyl]methyl]morpholine-2-carboxamide;hydrochloride is COCCCOc1cc(CN(C(=O)[C@H]2CNCCO2)C2CC2)cc(OCc2ccccc2)c1.Cl.
What is the InChIKey of (2R)-N-cyclopropyl-N-[[3-(3-methoxypropoxy)-5-phenylmethoxyphenyl]methyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is DWNSZSRPDXHJGO-VQIWEWKSSA-N. The full InChI is InChI=1S/C26H34N2O5.ClH/c1-30-11-5-12-31-23-14-21(15-24(16-23)33-19-20-6-3-2-4-7-20)18-28(22-8-9-22)26(29)25-17-27-10-13-32-25;/h2-4,6-7,14-16,22,25,27H,5,8-13,17-19H2,1H3;1H/t25-;/m1./s1.
What are the key properties of (2R)-N-cyclopropyl-N-[[3-(3-methoxypropoxy)-5-phenylmethoxyphenyl]methyl]morpholine-2-carboxamide;hydrochloride?
(2R)-N-cyclopropyl-N-[[3-(3-methoxypropoxy)-5-phenylmethoxyphenyl]methyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 491.03 g/mol, XLogP of 3.58, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-N-[[3-(3-methoxypropoxy)-5-phenylmethoxyphenyl]methyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 67543478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).