N-[(1-phenylcyclopropyl)methyl]-9H-xanthene-9-carboxamide

C24H21NO2 — CID 42145603

IUPACN-[(1-phenylcyclopropyl)methyl]-9H-xanthene-9-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C24H21NO2/c26-23(25-16-24(14-15-24)17-8-2-1-3-9-17)22-18-10-4-6-12-20(18)27-21-13-7-5-11-19(21)22/h1-13,22H,14-16H2,(H,25,26)
InChIKeyUZHPMQZACRXLBS-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.77
Rot. Bonds4

About N-[(1-phenylcyclopropyl)methyl]-9H-xanthene-9-carboxamide

N-[(1-phenylcyclopropyl)methyl]-9H-xanthene-9-carboxamide (PubChem CID 42145603) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[(1-phenylcyclopropyl)methyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[(1-phenylcyclopropyl)methyl]-9H-xanthene-9-carboxamide
PubChem CID42145603
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC NameN-[(1-phenylcyclopropyl)methyl]-9H-xanthene-9-carboxamide
SMILESO=C(NCC1(c2ccccc2)CC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C24H21NO2/c26-23(25-16-24(14-15-24)17-8-2-1-3-9-17)22-18-10-4-6-12-20(18)27-21-13-7-5-11-19(21)22/h1-13,22H,14-16H2,(H,25,26)
InChIKeyUZHPMQZACRXLBS-UHFFFAOYSA-N
XLogP4.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]-9H-xanthene-9-carboxamide
CID 56581269
N-[(1-phenylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42938379
N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide
CID 42940584
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-9H-xanthene-9-carboxamide
CID 90535464
N-[[3-[(9H-xanthene-9-carbonylamino)methyl]phenyl]methyl]-9H-xanthene-9-carboxamide
CID 5112519
N-[(1-phenylcyclopentyl)methyl]cyclohexanecarboxamide
CID 18128273
3-methyl-4-(9H-xanthene-9-carbonylamino)butanoic acid
CID 120537025
2-amino-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110459326
(2S,5R)-5-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide;hydrochloride
CID 120785201
N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
CID 51078296
3-oxo-N-[(1-phenylcyclopropyl)methyl]butanamide
CID 110470652
2,2,2-trifluoro-N-[(1-phenylcyclopropyl)methyl]acetamide
CID 110443182

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclopropyl)methyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[(1-phenylcyclopropyl)methyl]-9H-xanthene-9-carboxamide (CID 42145603) is N-[(1-phenylcyclopropyl)methyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[(1-phenylcyclopropyl)methyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[(1-phenylcyclopropyl)methyl]-9H-xanthene-9-carboxamide is O=C(NCC1(c2ccccc2)CC1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[(1-phenylcyclopropyl)methyl]-9H-xanthene-9-carboxamide?
The InChIKey is UZHPMQZACRXLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c26-23(25-16-24(14-15-24)17-8-2-1-3-9-17)22-18-10-4-6-12-20(18)27-21-13-7-5-11-19(21)22/h1-13,22H,14-16H2,(H,25,26).
What are the key properties of N-[(1-phenylcyclopropyl)methyl]-9H-xanthene-9-carboxamide?
N-[(1-phenylcyclopropyl)methyl]-9H-xanthene-9-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclopropyl)methyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 42145603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).