N,N-dipropyl-9H-xanthene-9-carboxamide

C20H23NO2 — CID 742979

IUPACN,N-dipropyl-9H-xanthene-9-carboxamide
SMILESCCCN(CCC)C(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H23NO2/c1-3-13-21(14-4-2)20(22)19-15-9-5-7-11-17(15)23-18-12-8-6-10-16(18)19/h5-12,19H,3-4,13-14H2,1-2H3
InChIKeyQJRIBTPGEWPZOG-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.57
Rot. Bonds5

About N,N-dipropyl-9H-xanthene-9-carboxamide

N,N-dipropyl-9H-xanthene-9-carboxamide (PubChem CID 742979) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N,N-dipropyl-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN,N-dipropyl-9H-xanthene-9-carboxamide
PubChem CID742979
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN,N-dipropyl-9H-xanthene-9-carboxamide
SMILESCCCN(CCC)C(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H23NO2/c1-3-13-21(14-4-2)20(22)19-15-9-5-7-11-17(15)23-18-12-8-6-10-16(18)19/h5-12,19H,3-4,13-14H2,1-2H3
InChIKeyQJRIBTPGEWPZOG-UHFFFAOYSA-N
XLogP4.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Propantheline
CID 4934
Propantheline Bromide
CID 9279
Methantheline Bromide
CID 5883
Methantheline
CID 4097
9H-Xanthene-9-carboxamide
CID 725576
(9H-xanthene-9-carbonyl)carbamic acid butyl ester
CID 9949202
N-hydroxy-9H-xanthene-9-carboxamide
CID 44626296
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
[4-(2-Methoxyphenyl)piperidin-1-yl]-phenylmethanone
CID 2802386

Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-9H-xanthene-9-carboxamide?
The IUPAC name of N,N-dipropyl-9H-xanthene-9-carboxamide (CID 742979) is N,N-dipropyl-9H-xanthene-9-carboxamide.
What is the SMILES notation for N,N-dipropyl-9H-xanthene-9-carboxamide?
The canonical SMILES for N,N-dipropyl-9H-xanthene-9-carboxamide is CCCN(CCC)C(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N,N-dipropyl-9H-xanthene-9-carboxamide?
The InChIKey is QJRIBTPGEWPZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO2/c1-3-13-21(14-4-2)20(22)19-15-9-5-7-11-17(15)23-18-12-8-6-10-16(18)19/h5-12,19H,3-4,13-14H2,1-2H3.
What are the key properties of N,N-dipropyl-9H-xanthene-9-carboxamide?
N,N-dipropyl-9H-xanthene-9-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 4.57, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-9H-xanthene-9-carboxamide is sourced from PubChem (CID 742979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).