N-[(1-phenylcyclobutyl)methyl]-2H-chromene-3-carboxamide

C21H21NO2 — CID 41412635

IUPACN-[(1-phenylcyclobutyl)methyl]-2H-chromene-3-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCC1)C1=Cc2ccccc2OC1
InChIInChI=1S/C21H21NO2/c23-20(17-13-16-7-4-5-10-19(16)24-14-17)22-15-21(11-6-12-21)18-8-2-1-3-9-18/h1-5,7-10,13H,6,11-12,14-15H2,(H,22,23)
InChIKeyQIBQQAYHWPVUSO-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.70
Rot. Bonds4

About N-[(1-phenylcyclobutyl)methyl]-2H-chromene-3-carboxamide

N-[(1-phenylcyclobutyl)methyl]-2H-chromene-3-carboxamide (PubChem CID 41412635) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[(1-phenylcyclobutyl)methyl]-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(1-phenylcyclobutyl)methyl]-2H-chromene-3-carboxamide
PubChem CID41412635
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC NameN-[(1-phenylcyclobutyl)methyl]-2H-chromene-3-carboxamide
SMILESO=C(NCC1(c2ccccc2)CCC1)C1=Cc2ccccc2OC1
InChIInChI=1S/C21H21NO2/c23-20(17-13-16-7-4-5-10-19(16)24-14-17)22-15-21(11-6-12-21)18-8-2-1-3-9-18/h1-5,7-10,13H,6,11-12,14-15H2,(H,22,23)
InChIKeyQIBQQAYHWPVUSO-UHFFFAOYSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-3-(2H-chromene-3-carbonylamino)-2-methylpropanoic acid
CID 124689247
N-methyl-2H-chromene-3-carboxamide
CID 13029267
4-amino-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 110462616
4-fluoro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 737856
N-cyclooctyl-2H-chromene-3-carboxamide
CID 22578430
N-cyclohexyl-2H-chromene-3-carboxamide
CID 9043314
N-(3-pyrrolidin-1-ylpropyl)-2H-chromene-3-carboxamide
CID 46353382
2-amino-2-methyl-N-[(1-phenylcyclopentyl)methyl]propanamide
CID 110480032
3-amino-N-[(1-phenylcyclobutyl)methyl]propanamide
CID 110460227
N-[(1-phenylcyclobutyl)methyl]-2H-triazole-4-carboxamide
CID 110475489
4-nitro-N-[(1-phenylcyclobutyl)methyl]benzamide
CID 16601996
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylcyclobutyl)methyl]-2H-chromene-3-carboxamide?
The IUPAC name of N-[(1-phenylcyclobutyl)methyl]-2H-chromene-3-carboxamide (CID 41412635) is N-[(1-phenylcyclobutyl)methyl]-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(1-phenylcyclobutyl)methyl]-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(1-phenylcyclobutyl)methyl]-2H-chromene-3-carboxamide is O=C(NCC1(c2ccccc2)CCC1)C1=Cc2ccccc2OC1.
What is the InChIKey of N-[(1-phenylcyclobutyl)methyl]-2H-chromene-3-carboxamide?
The InChIKey is QIBQQAYHWPVUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO2/c23-20(17-13-16-7-4-5-10-19(16)24-14-17)22-15-21(11-6-12-21)18-8-2-1-3-9-18/h1-5,7-10,13H,6,11-12,14-15H2,(H,22,23).
What are the key properties of N-[(1-phenylcyclobutyl)methyl]-2H-chromene-3-carboxamide?
N-[(1-phenylcyclobutyl)methyl]-2H-chromene-3-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylcyclobutyl)methyl]-2H-chromene-3-carboxamide is sourced from PubChem (CID 41412635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).