N,N-bis(prop-2-enyl)-9H-xanthene-9-carboxamide

C20H19NO2 — CID 670827

IUPACN,N-bis(prop-2-enyl)-9H-xanthene-9-carboxamide
SMILESC=CCN(CC=C)C(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H19NO2/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/h3-12,19H,1-2,13-14H2
InChIKeyBOODEFQJWAPFKU-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.12
Rot. Bonds5

About N,N-bis(prop-2-enyl)-9H-xanthene-9-carboxamide

N,N-bis(prop-2-enyl)-9H-xanthene-9-carboxamide (PubChem CID 670827) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N,N-bis(prop-2-enyl)-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN,N-bis(prop-2-enyl)-9H-xanthene-9-carboxamide
PubChem CID670827
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC NameN,N-bis(prop-2-enyl)-9H-xanthene-9-carboxamide
SMILESC=CCN(CC=C)C(=O)C1c2ccccc2Oc2ccccc21
InChIInChI=1S/C20H19NO2/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/h3-12,19H,1-2,13-14H2
InChIKeyBOODEFQJWAPFKU-UHFFFAOYSA-N
XLogP4.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N-bis(prop-2-enyl)-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

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
N,N-diethyl-9H-xanthene-9-carboxamide
CID 669620
N-benzyl-9H-xanthene-9-carboxamide
CID 718110
2-(2-Methoxy-phenyl)-1-morpholin-4-yl-ethanone
CID 669556

Frequently Asked Questions

What is the IUPAC name of N,N-bis(prop-2-enyl)-9H-xanthene-9-carboxamide?
The IUPAC name of N,N-bis(prop-2-enyl)-9H-xanthene-9-carboxamide (CID 670827) is N,N-bis(prop-2-enyl)-9H-xanthene-9-carboxamide.
What is the SMILES notation for N,N-bis(prop-2-enyl)-9H-xanthene-9-carboxamide?
The canonical SMILES for N,N-bis(prop-2-enyl)-9H-xanthene-9-carboxamide is C=CCN(CC=C)C(=O)C1c2ccccc2Oc2ccccc21.
What is the InChIKey of N,N-bis(prop-2-enyl)-9H-xanthene-9-carboxamide?
The InChIKey is BOODEFQJWAPFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/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/h3-12,19H,1-2,13-14H2.
What are the key properties of N,N-bis(prop-2-enyl)-9H-xanthene-9-carboxamide?
N,N-bis(prop-2-enyl)-9H-xanthene-9-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(prop-2-enyl)-9H-xanthene-9-carboxamide is sourced from PubChem (CID 670827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).