N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide

C27H30N4O2 — CID 55678782

IUPACN-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
SMILESCc1ccc(CNC(=O)NCC(=O)NCc2ccc(CN3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C27H30N4O2/c1-20-6-8-21(9-7-20)17-29-27(33)30-18-26(32)28-16-22-10-12-23(13-11-22)19-31-15-14-24-4-2-3-5-25(24)31/h2-13H,14-19H2,1H3,(H,28,32)(H2,29,30,33)
InChIKeyAOTSOCXDYLPYHN-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.67
Rot. Bonds8

About N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide

N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide (PubChem CID 55678782) has the molecular formula C27H30N4O2 and a molecular weight of 442.56 g/mol. Its IUPAC name is N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide.

Molecular Properties

Compound NameN-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
PubChem CID55678782
Molecular FormulaC27H30N4O2
Molecular Weight442.56 g/mol
Exact Mass442.24
IUPAC NameN-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide
SMILESCc1ccc(CNC(=O)NCC(=O)NCc2ccc(CN3CCc4ccccc43)cc2)cc1
InChIInChI=1S/C27H30N4O2/c1-20-6-8-21(9-7-20)17-29-27(33)30-18-26(32)28-16-22-10-12-23(13-11-22)19-31-15-14-24-4-2-3-5-25(24)31/h2-13H,14-19H2,1H3,(H,28,32)(H2,29,30,33)
InChIKeyAOTSOCXDYLPYHN-UHFFFAOYSA-N
XLogP3.67
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-2-oxoethyl]furan-2-carboxamide
CID 39046356
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[methyl(methylsulfonyl)amino]acetamide
CID 55675974
N-[(4-chlorophenyl)methyl]-2-(2,3-dihydroindol-1-yl)acetamide
CID 2654337
methyl 4-(2,3-dihydroindol-1-ylmethyl)benzoate
CID 6473082
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-propan-2-ylsulfonylpropanamide
CID 55965309
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 52583686
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-5-oxo-5-thiophen-2-ylpentanamide
CID 39045691
tert-butyl N-[4-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-4-oxobutyl]carbamate
CID 52585740
1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]urea
CID 86847204
(2R)-N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-ethoxypropanamide
CID 52608840
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
CID 112838221
2-chloro-N-[1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 46461248

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
The IUPAC name of N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide (CID 55678782) is N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide.
What is the SMILES notation for N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
The canonical SMILES for N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide is Cc1ccc(CNC(=O)NCC(=O)NCc2ccc(CN3CCc4ccccc43)cc2)cc1.
What is the InChIKey of N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
The InChIKey is AOTSOCXDYLPYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2/c1-20-6-8-21(9-7-20)17-29-27(33)30-18-26(32)28-16-22-10-12-23(13-11-22)19-31-15-14-24-4-2-3-5-25(24)31/h2-13H,14-19H2,1H3,(H,28,32)(H2,29,30,33).
What are the key properties of N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide?
N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide has a molecular weight of 442.56 g/mol, XLogP of 3.67, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methyl]-2-[(4-methylphenyl)methylcarbamoylamino]acetamide is sourced from PubChem (CID 55678782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).