N-butan-2-yl-9H-xanthene-9-carboxamide

C18H19NO2 — CID 3248763

IUPACN-butan-2-yl-9H-xanthene-9-carboxamide
SMILESCCC(C)NC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H19NO2/c1-3-12(2)19-18(20)17-13-8-4-6-10-15(13)21-16-11-7-5-9-14(16)17/h4-12,17H,3H2,1-2H3,(H,19,20)
InChIKeyYGDBKTGSMJVKKZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.84
Rot. Bonds3

About N-butan-2-yl-9H-xanthene-9-carboxamide

N-butan-2-yl-9H-xanthene-9-carboxamide (PubChem CID 3248763) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-butan-2-yl-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-9H-xanthene-9-carboxamide
PubChem CID3248763
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC NameN-butan-2-yl-9H-xanthene-9-carboxamide
SMILESCCC(C)NC(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C18H19NO2/c1-3-12(2)19-18(20)17-13-8-4-6-10-15(13)21-16-11-7-5-9-14(16)17/h4-12,17H,3H2,1-2H3,(H,19,20)
InChIKeyYGDBKTGSMJVKKZ-UHFFFAOYSA-N
XLogP3.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

9H-Xanthene-9-carboxamide
CID 725576
(9H-xanthene-9-carbonyl)carbamic acid butyl ester
CID 9949202
N-hydroxy-9H-xanthene-9-carboxamide
CID 44626296
J-113863 cation, trans-
CID 6918497
(3R)-1-(3-phenoxypropyl)-3-[(9H-xanthen-9-ylcarbonyl)amino]-1-azoniabicyclo[2.2.2]octane bromide
CID 11678377
N-tert-butyl-9H-xanthene-9-carboxamide
CID 718106
N-(3-methoxypropyl)-9H-xanthene-9-carboxamide
CID 1928115
N-butyl-9H-xanthene-9-carboxamide
CID 1928177
N-(1-methoxypropan-2-yl)-9H-xanthene-9-carboxamide
CID 2905426
N,N-diethyl-9H-xanthene-9-carboxamide
CID 669620
N-benzyl-9H-xanthene-9-carboxamide
CID 718110
N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 729989

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-9H-xanthene-9-carboxamide?
The IUPAC name of N-butan-2-yl-9H-xanthene-9-carboxamide (CID 3248763) is N-butan-2-yl-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-butan-2-yl-9H-xanthene-9-carboxamide?
The canonical SMILES for N-butan-2-yl-9H-xanthene-9-carboxamide is CCC(C)NC(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N-butan-2-yl-9H-xanthene-9-carboxamide?
The InChIKey is YGDBKTGSMJVKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-12(2)19-18(20)17-13-8-4-6-10-15(13)21-16-11-7-5-9-14(16)17/h4-12,17H,3H2,1-2H3,(H,19,20).
What are the key properties of N-butan-2-yl-9H-xanthene-9-carboxamide?
N-butan-2-yl-9H-xanthene-9-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-9H-xanthene-9-carboxamide is sourced from PubChem (CID 3248763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).