N-[3-(cyclopropylmethoxy)propyl]-9H-xanthene-9-carboxamide

C21H23NO3 — CID 51276482

IUPACN-[3-(cyclopropylmethoxy)propyl]-9H-xanthene-9-carboxamide
SMILESO=C(NCCCOCC1CC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H23NO3/c23-21(22-12-5-13-24-14-15-10-11-15)20-16-6-1-3-8-18(16)25-19-9-4-2-7-17(19)20/h1-4,6-9,15,20H,5,10-14H2,(H,22,23)
InChIKeyRSTJWQVCZHXKIT-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.86
Rot. Bonds7

About N-[3-(cyclopropylmethoxy)propyl]-9H-xanthene-9-carboxamide

N-[3-(cyclopropylmethoxy)propyl]-9H-xanthene-9-carboxamide (PubChem CID 51276482) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-9H-xanthene-9-carboxamide
PubChem CID51276482
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-9H-xanthene-9-carboxamide
SMILESO=C(NCCCOCC1CC1)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C21H23NO3/c23-21(22-12-5-13-24-14-15-10-11-15)20-16-6-1-3-8-18(16)25-19-9-4-2-7-17(19)20/h1-4,6-9,15,20H,5,10-14H2,(H,22,23)
InChIKeyRSTJWQVCZHXKIT-UHFFFAOYSA-N
XLogP3.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(cyclopropylmethoxy)propyl]-9H-xanthene-9-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

N-[2-(2-fluorophenoxy)ethyl]-9H-xanthene-9-carboxamide
CID 7927585
(2S)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-2-phenylacetamide
CID 93093422
N-(3-carbazol-9-ylpropyl)-9H-xanthene-9-carboxamide
CID 16765049
N-[2-(2-methoxyethylamino)-2-oxoethyl]-9H-xanthene-9-carboxamide
CID 9246931
(3S)-N-[3-(cyclopropylmethoxy)propyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896132
N-[3-(cyclopropylmethoxy)propyl]-3,4-dihydro-2H-chromen-4-amine
CID 43206794
N-[2-(6-phenylpyridazin-3-yl)oxyethyl]-9H-xanthene-9-carboxamide
CID 22585389
N-[2-(2-methoxyphenyl)ethyl]-9H-xanthene-9-carboxamide
CID 8911207
cyclohexylmethyl 9H-xanthene-9-carboxylate
CID 7716785
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-[(1-phenylcyclopropyl)methyl]-9H-xanthene-9-carboxamide
CID 42145603

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-9H-xanthene-9-carboxamide (CID 51276482) is N-[3-(cyclopropylmethoxy)propyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-9H-xanthene-9-carboxamide is O=C(NCCCOCC1CC1)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-9H-xanthene-9-carboxamide?
The InChIKey is RSTJWQVCZHXKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO3/c23-21(22-12-5-13-24-14-15-10-11-15)20-16-6-1-3-8-18(16)25-19-9-4-2-7-17(19)20/h1-4,6-9,15,20H,5,10-14H2,(H,22,23).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-9H-xanthene-9-carboxamide?
N-[3-(cyclopropylmethoxy)propyl]-9H-xanthene-9-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 51276482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).