4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-N-[2-(4-phenoxyphenyl)ethyl]benzamide

C31H30N2O2 — CID 69291728

IUPAC4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-N-[2-(4-phenoxyphenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(Oc2ccccc2)cc1)c1ccc(CNC2CCc3ccccc32)cc1
InChIInChI=1S/C31H30N2O2/c34-31(32-21-20-23-12-17-28(18-13-23)35-27-7-2-1-3-8-27)26-14-10-24(11-15-26)22-33-30-19-16-25-6-4-5-9-29(25)30/h1-15,17-18,30,33H,16,19-22H2,(H,32,34)
InChIKeyKCENDXHLVMIQAJ-UHFFFAOYSA-N
MW462.59 g/mol
LogP6.23
Rot. Bonds9

About 4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-N-[2-(4-phenoxyphenyl)ethyl]benzamide

4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-N-[2-(4-phenoxyphenyl)ethyl]benzamide (PubChem CID 69291728) has the molecular formula C31H30N2O2 and a molecular weight of 462.59 g/mol. Its IUPAC name is 4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-N-[2-(4-phenoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-N-[2-(4-phenoxyphenyl)ethyl]benzamide
PubChem CID69291728
Molecular FormulaC31H30N2O2
Molecular Weight462.59 g/mol
Exact Mass462.23
IUPAC Name4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-N-[2-(4-phenoxyphenyl)ethyl]benzamide
SMILESO=C(NCCc1ccc(Oc2ccccc2)cc1)c1ccc(CNC2CCc3ccccc32)cc1
InChIInChI=1S/C31H30N2O2/c34-31(32-21-20-23-12-17-28(18-13-23)35-27-7-2-1-3-8-27)26-14-10-24(11-15-26)22-33-30-19-16-25-6-4-5-9-29(25)30/h1-15,17-18,30,33H,16,19-22H2,(H,32,34)
InChIKeyKCENDXHLVMIQAJ-UHFFFAOYSA-N
XLogP6.23
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 56.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-iodophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 65477774
4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]benzenesulfinic acid
CID 118861554
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 4270506
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
3-(2,3-dihydro-1H-inden-1-ylamino)propanoic acid
CID 43088449
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid
CID 13100819
4-[(carbamoylamino)methyl]-N-[(5R)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]benzamide
CID 95320971
(6R)-6-(4-phenoxyphenyl)-N-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-2-carboxamide
CID 93013243
2-[[(1S)-2,3-dihydro-1H-inden-1-yl]amino]acetic acid;hydrochloride
CID 22976313
N-[2-[[(4S)-3,4-dihydro-2H-thiochromen-4-yl]amino]-2-oxoethyl]-4-phenoxybenzamide
CID 9120308
N-(2-phenoxyethyl)-2,3-dihydro-1H-inden-1-amine
CID 55024692

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-N-[2-(4-phenoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-N-[2-(4-phenoxyphenyl)ethyl]benzamide (CID 69291728) is 4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-N-[2-(4-phenoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-N-[2-(4-phenoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-N-[2-(4-phenoxyphenyl)ethyl]benzamide is O=C(NCCc1ccc(Oc2ccccc2)cc1)c1ccc(CNC2CCc3ccccc32)cc1.
What is the InChIKey of 4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-N-[2-(4-phenoxyphenyl)ethyl]benzamide?
The InChIKey is KCENDXHLVMIQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O2/c34-31(32-21-20-23-12-17-28(18-13-23)35-27-7-2-1-3-8-27)26-14-10-24(11-15-26)22-33-30-19-16-25-6-4-5-9-29(25)30/h1-15,17-18,30,33H,16,19-22H2,(H,32,34).
What are the key properties of 4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-N-[2-(4-phenoxyphenyl)ethyl]benzamide?
4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-N-[2-(4-phenoxyphenyl)ethyl]benzamide has a molecular weight of 462.59 g/mol, XLogP of 6.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3-dihydro-1H-inden-1-ylamino)methyl]-N-[2-(4-phenoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 69291728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).