N-(2-morpholin-4-yl-2-phenylethyl)-9H-xanthene-9-carboxamide

C26H26N2O3 — CID 42948394

IUPACN-(2-morpholin-4-yl-2-phenylethyl)-9H-xanthene-9-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C26H26N2O3/c29-26(25-20-10-4-6-12-23(20)31-24-13-7-5-11-21(24)25)27-18-22(19-8-2-1-3-9-19)28-14-16-30-17-15-28/h1-13,22,25H,14-18H2,(H,27,29)
InChIKeyJKBGUBVCMPNZAL-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.11
Rot. Bonds5

About N-(2-morpholin-4-yl-2-phenylethyl)-9H-xanthene-9-carboxamide

N-(2-morpholin-4-yl-2-phenylethyl)-9H-xanthene-9-carboxamide (PubChem CID 42948394) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-(2-morpholin-4-yl-2-phenylethyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-yl-2-phenylethyl)-9H-xanthene-9-carboxamide
PubChem CID42948394
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC NameN-(2-morpholin-4-yl-2-phenylethyl)-9H-xanthene-9-carboxamide
SMILESO=C(NCC(c1ccccc1)N1CCOCC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C26H26N2O3/c29-26(25-20-10-4-6-12-23(20)31-24-13-7-5-11-21(24)25)27-18-22(19-8-2-1-3-9-19)28-14-16-30-17-15-28/h1-13,22,25H,14-18H2,(H,27,29)
InChIKeyJKBGUBVCMPNZAL-UHFFFAOYSA-N
XLogP4.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-morpholin-4-yl-2-phenylethyl)cyclobutanecarboxamide
CID 42948395
N-(2-morpholin-4-yl-2-phenylethyl)cyclopentanecarboxamide
CID 42948396
N-[(2R)-2-pyrrolidin-1-ylpropyl]-9H-xanthene-9-carboxamide
CID 94100172
2-amino-N-(2-morpholin-4-yl-2-phenylethyl)-2-(oxan-4-yl)acetamide
CID 120798354
(2S)-2-amino-3,3-dimethyl-N-(2-morpholin-4-yl-2-phenylethyl)butanamide
CID 119853237
3-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)propanamide
CID 43057620
3-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119853222
1-[(2S)-2-morpholin-4-yl-2-phenylethyl]-3-[(1R)-1-phenylethyl]urea
CID 51934988
2-amino-N-(2-morpholin-4-yl-2-phenylethyl)-3-phenylpropanamide;dihydrochloride
CID 119853212
2-(2-chlorophenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]cyclopropane-1-carboxamide
CID 55900321
N-[4-[(2-morpholin-4-yl-2-phenylethyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 46482976
1-amino-N-(2-morpholin-4-yl-2-phenylethyl)cyclohexane-1-carboxamide
CID 119853255

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-yl-2-phenylethyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(2-morpholin-4-yl-2-phenylethyl)-9H-xanthene-9-carboxamide (CID 42948394) is N-(2-morpholin-4-yl-2-phenylethyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-yl-2-phenylethyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(2-morpholin-4-yl-2-phenylethyl)-9H-xanthene-9-carboxamide is O=C(NCC(c1ccccc1)N1CCOCC1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(2-morpholin-4-yl-2-phenylethyl)-9H-xanthene-9-carboxamide?
The InChIKey is JKBGUBVCMPNZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c29-26(25-20-10-4-6-12-23(20)31-24-13-7-5-11-21(24)25)27-18-22(19-8-2-1-3-9-19)28-14-16-30-17-15-28/h1-13,22,25H,14-18H2,(H,27,29).
What are the key properties of N-(2-morpholin-4-yl-2-phenylethyl)-9H-xanthene-9-carboxamide?
N-(2-morpholin-4-yl-2-phenylethyl)-9H-xanthene-9-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-yl-2-phenylethyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 42948394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).