N-[2-[[2-methyl-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide

C27H29N3O2 — CID 162676079

IUPACN-[2-[[2-methyl-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(C(=O)N2CCc3c(-c4ccccc4)cccc32)cc1C
InChIInChI=1S/C27H29N3O2/c1-19-17-22(11-12-23(19)18-28-14-15-29-20(2)31)27(32)30-16-13-25-24(9-6-10-26(25)30)21-7-4-3-5-8-21/h3-12,17,28H,13-16,18H2,1-2H3,(H,29,31)
InChIKeyCWUVABYUWKTUJL-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.09
Rot. Bonds7

About N-[2-[[2-methyl-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide

N-[2-[[2-methyl-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide (PubChem CID 162676079) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[2-[[2-methyl-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-methyl-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide
PubChem CID162676079
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-[2-[[2-methyl-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide
SMILESCC(=O)NCCNCc1ccc(C(=O)N2CCc3c(-c4ccccc4)cccc32)cc1C
InChIInChI=1S/C27H29N3O2/c1-19-17-22(11-12-23(19)18-28-14-15-29-20(2)31)27(32)30-16-13-25-24(9-6-10-26(25)30)21-7-4-3-5-8-21/h3-12,17,28H,13-16,18H2,1-2H3,(H,29,31)
InChIKeyCWUVABYUWKTUJL-UHFFFAOYSA-N
XLogP4.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethanesulfonamide
CID 175168661
[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydroindol-1-yl]-[4-[(2-hydroxyethylamino)methyl]-3-methoxyphenyl]methanone
CID 162674486
N-[2-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethyl]methanesulfonamide
CID 164625393
N-[[2-methyl-4-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)phenyl]methyl]formamide
CID 87457269
3-[[2-[(2-acetamidoethylamino)methyl]-5-[(2-methyl-3-phenylphenyl)methoxy]phenoxy]methyl]-4-fluorobenzoic acid
CID 118455333
7-[(2-acetamidoethylamino)methyl]-1-methyl-4-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-indene-5-carboxylic acid
CID 156762814
2,3-dihydroindol-1-yl-(3,4-dimethylphenyl)methanone
CID 669367
[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methyl (2S)-pyrrolidine-2-carboxylate
CID 175362652
(4-amino-3-methylphenyl)-(2,3-dihydroindol-1-yl)methanone
CID 16794713
[5-(hydroxymethyl)-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
CID 168875760
[4-(aminomethyl)-3-methylphenyl]-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 15896086
methyl 5-[[4-[(2-acetamidoethylamino)methyl]-7-[(2-methyl-3-phenylphenyl)methoxy]-2,3-dihydro-1H-inden-5-yl]oxy]pentanoate
CID 139489829

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-methyl-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-methyl-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide (CID 162676079) is N-[2-[[2-methyl-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-methyl-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-methyl-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide is CC(=O)NCCNCc1ccc(C(=O)N2CCc3c(-c4ccccc4)cccc32)cc1C.
What is the InChIKey of N-[2-[[2-methyl-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide?
The InChIKey is CWUVABYUWKTUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-19-17-22(11-12-23(19)18-28-14-15-29-20(2)31)27(32)30-16-13-25-24(9-6-10-26(25)30)21-7-4-3-5-8-21/h3-12,17,28H,13-16,18H2,1-2H3,(H,29,31).
What are the key properties of N-[2-[[2-methyl-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide?
N-[2-[[2-methyl-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide has a molecular weight of 427.55 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-methyl-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide is sourced from PubChem (CID 162676079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).