N-(3-cyclopropyl-3-hydroxypropyl)-9H-xanthene-9-carboxamide

C20H21NO3 — CID 71787480

IUPACN-(3-cyclopropyl-3-hydroxypropyl)-9H-xanthene-9-carboxamide
SMILESO=C(NCCC(O)C1CC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H21NO3/c22-16(13-9-10-13)11-12-21-20(23)19-14-5-1-3-7-17(14)24-18-8-4-2-6-15(18)19/h1-8,13,16,19,22H,9-12H2,(H,21,23)
InChIKeyLDQVMCSLZDAJGZ-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.20
Rot. Bonds5

About N-(3-cyclopropyl-3-hydroxypropyl)-9H-xanthene-9-carboxamide

N-(3-cyclopropyl-3-hydroxypropyl)-9H-xanthene-9-carboxamide (PubChem CID 71787480) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-(3-cyclopropyl-3-hydroxypropyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopropyl-3-hydroxypropyl)-9H-xanthene-9-carboxamide
PubChem CID71787480
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC NameN-(3-cyclopropyl-3-hydroxypropyl)-9H-xanthene-9-carboxamide
SMILESO=C(NCCC(O)C1CC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H21NO3/c22-16(13-9-10-13)11-12-21-20(23)19-14-5-1-3-7-17(14)24-18-8-4-2-6-15(18)19/h1-8,13,16,19,22H,9-12H2,(H,21,23)
InChIKeyLDQVMCSLZDAJGZ-UHFFFAOYSA-N
XLogP3.20
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(cyclopropylmethoxy)propyl]-9H-xanthene-9-carboxamide
CID 51276482
N-[[(2S)-oxolan-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 752957
N-[[3-[(9H-xanthene-9-carbonylamino)methyl]phenyl]methyl]-9H-xanthene-9-carboxamide
CID 5112519
N-[(5S)-6-amino-5-(1-aminoethylideneamino)-6-oxohexyl]-9H-xanthene-9-carboxamide
CID 142009832
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-9H-xanthene-9-carboxamide
CID 17474331
N-[(1-phenylcyclopropyl)methyl]-9H-xanthene-9-carboxamide
CID 42145603
N-(1-adamantylmethyl)-9H-xanthene-9-carboxamide
CID 3584771
2-(9H-xanthene-9-carbonylamino)pentanoic acid
CID 120534631
3-methyl-4-(9H-xanthene-9-carbonylamino)butanoic acid
CID 120537025
N-(3-carbazol-9-ylpropyl)-9H-xanthene-9-carboxamide
CID 16765049
N-[2-(2-fluorophenoxy)ethyl]-9H-xanthene-9-carboxamide
CID 7927585
N-[2-(2-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
CID 8911207

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropyl-3-hydroxypropyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N-(3-cyclopropyl-3-hydroxypropyl)-9H-xanthene-9-carboxamide (CID 71787480) is N-(3-cyclopropyl-3-hydroxypropyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-(3-cyclopropyl-3-hydroxypropyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N-(3-cyclopropyl-3-hydroxypropyl)-9H-xanthene-9-carboxamide is O=C(NCCC(O)C1CC1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-(3-cyclopropyl-3-hydroxypropyl)-9H-xanthene-9-carboxamide?
The InChIKey is LDQVMCSLZDAJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c22-16(13-9-10-13)11-12-21-20(23)19-14-5-1-3-7-17(14)24-18-8-4-2-6-15(18)19/h1-8,13,16,19,22H,9-12H2,(H,21,23).
What are the key properties of N-(3-cyclopropyl-3-hydroxypropyl)-9H-xanthene-9-carboxamide?
N-(3-cyclopropyl-3-hydroxypropyl)-9H-xanthene-9-carboxamide has a molecular weight of 323.39 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropyl-3-hydroxypropyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 71787480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).