N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide

C23H29N3O2 — CID 9109275

IUPACN-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C23H29N3O2/c1-3-26(4-2)15-14-24-22(27)18-10-12-21(13-11-18)25-23(28)20-9-8-17-6-5-7-19(17)16-20/h8-13,16H,3-7,14-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyYGBJSBLOQNQPMQ-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.50
Rot. Bonds8

About N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide

N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 9109275) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID9109275
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1
InChIInChI=1S/C23H29N3O2/c1-3-26(4-2)15-14-24-22(27)18-10-12-21(13-11-18)25-23(28)20-9-8-17-6-5-7-19(17)16-20/h8-13,16H,3-7,14-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyYGBJSBLOQNQPMQ-UHFFFAOYSA-N
XLogP3.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 9109275) is N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide is CCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCC3)cc1.
What is the InChIKey of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is YGBJSBLOQNQPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-26(4-2)15-14-24-22(27)18-10-12-21(13-11-18)25-23(28)20-9-8-17-6-5-7-19(17)16-20/h8-13,16H,3-7,14-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 3.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 9109275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).