N-[2-(4-benzoyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide

C24H27N3O3 — CID 86884558

IUPACN-[2-(4-benzoyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCC(=O)N1CCCN(C(=O)c2ccccc2)CC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C24H27N3O3/c28-22(17-25-23(29)21-11-10-18-8-4-9-20(18)16-21)26-12-5-13-27(15-14-26)24(30)19-6-2-1-3-7-19/h1-3,6-7,10-11,16H,4-5,8-9,12-15,17H2,(H,25,29)
InChIKeyPBZFTOKMATURIR-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.28
Rot. Bonds4

About N-[2-(4-benzoyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide

N-[2-(4-benzoyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide (PubChem CID 86884558) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[2-(4-benzoyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-benzoyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
PubChem CID86884558
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[2-(4-benzoyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide
SMILESO=C(NCC(=O)N1CCCN(C(=O)c2ccccc2)CC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C24H27N3O3/c28-22(17-25-23(29)21-11-10-18-8-4-9-20(18)16-21)26-12-5-13-27(15-14-26)24(30)19-6-2-1-3-7-19/h1-3,6-7,10-11,16H,4-5,8-9,12-15,17H2,(H,25,29)
InChIKeyPBZFTOKMATURIR-UHFFFAOYSA-N
XLogP2.28
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-benzoyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide with MolForge

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Related Compounds

[4-(2,3-dihydro-1H-indene-5-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 38461269
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 2560876
N-[2-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108543980
phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 84543270
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
CID 25166103
N-[2-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 38480247
N-[2-[4-(3,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108544969
N-[2-[4-(2,5-dichlorobenzoyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 108545003
N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 110807717
N-[2-oxo-2-[4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperazin-1-yl]ethyl]naphthalene-2-carboxamide
CID 24543794
N-(2-oxo-2-piperidin-1-ylethyl)naphthalene-2-carboxamide
CID 24539686
N-(2-amino-2-oxoethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 9295424

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzoyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The IUPAC name of N-[2-(4-benzoyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide (CID 86884558) is N-[2-(4-benzoyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide.
What is the SMILES notation for N-[2-(4-benzoyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The canonical SMILES for N-[2-(4-benzoyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide is O=C(NCC(=O)N1CCCN(C(=O)c2ccccc2)CC1)c1ccc2c(c1)CCC2.
What is the InChIKey of N-[2-(4-benzoyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide?
The InChIKey is PBZFTOKMATURIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c28-22(17-25-23(29)21-11-10-18-8-4-9-20(18)16-21)26-12-5-13-27(15-14-26)24(30)19-6-2-1-3-7-19/h1-3,6-7,10-11,16H,4-5,8-9,12-15,17H2,(H,25,29).
What are the key properties of N-[2-(4-benzoyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide?
N-[2-(4-benzoyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzoyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,3-dihydro-1H-indene-5-carboxamide is sourced from PubChem (CID 86884558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).