3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-2-(tritylamino)propanamide;molecular hydrogen

C38H37N3O2 — CID 159748333

IUPAC3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-2-(tritylamino)propanamide;molecular hydrogen
SMILESCOc1ccccc1CNC(=O)C(Cc1c[nH]c2ccccc12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.[H][H]
InChIInChI=1S/C38H35N3O2.H2/c1-43-36-24-14-11-15-28(36)26-40-37(42)35(25-29-27-39-34-23-13-12-22-33(29)34)41-38(30-16-5-2-6-17-30,31-18-7-3-8-19-31)32-20-9-4-10-21-32;/h2-24,27,35,39,41H,25-26H2,1H3,(H,40,42);1H
InChIKeyOTSKJMAITIMUAC-UHFFFAOYSA-N
MW567.73 g/mol
LogP7.23
Rot. Bonds11

About 3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-2-(tritylamino)propanamide;molecular hydrogen

3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-2-(tritylamino)propanamide;molecular hydrogen (PubChem CID 159748333) has the molecular formula C38H37N3O2 and a molecular weight of 567.73 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-2-(tritylamino)propanamide;molecular hydrogen.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-2-(tritylamino)propanamide;molecular hydrogen
PubChem CID159748333
Molecular FormulaC38H37N3O2
Molecular Weight567.73 g/mol
Exact Mass567.29
IUPAC Name3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-2-(tritylamino)propanamide;molecular hydrogen
SMILESCOc1ccccc1CNC(=O)C(Cc1c[nH]c2ccccc12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.[H][H]
InChIInChI=1S/C38H35N3O2.H2/c1-43-36-24-14-11-15-28(36)26-40-37(42)35(25-29-27-39-34-23-13-12-22-33(29)34)41-38(30-16-5-2-6-17-30,31-18-7-3-8-19-31)32-20-9-4-10-21-32;/h2-24,27,35,39,41H,25-26H2,1H3,(H,40,42);1H
InChIKeyOTSKJMAITIMUAC-UHFFFAOYSA-N
XLogP7.23
TPSA66.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.73
LogP ≤ 57.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[3-(1H-indol-3-yl)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]carbamic acid;hydrate
CID 174323303
(2S)-3-(1H-indol-3-yl)-2-(tritylamino)propanoic acid;3-(1H-indol-3-yl)-2-(tritylamino)propanoic acid
CID 67623773
2-methylbutan-2-yl N-[3-(1H-indol-3-yl)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]carbamate
CID 147731733
N-[2-(1H-indol-3-yl)ethyl]-2-(2-methoxyphenyl)acetamide
CID 4796568
(2R)-2-[(2-ethoxy-3-methoxyphenyl)methylamino]-3-(1H-indol-3-yl)propanoic acid
CID 51997727
4-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-[[3-(2-methoxyphenyl)-2-sulfanylpropanoyl]amino]-4-oxobutanoic acid
CID 87908245
3-(1H-indol-3-yl)-2-[(2-methoxybenzoyl)amino]propanoic acid
CID 6611948
methyl 3-(1H-indol-3-yl)-2-phenylpropanoate
CID 134951107
(2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 2206716
(2R)-N-benzyl-3-(1H-indol-3-yl)-2-[[(E)-4-oxopent-2-en-2-yl]amino]propanamide
CID 51398273
(2S)-N-benzyl-2-(dimethylcarbamoylamino)-3-(1H-indol-3-yl)propanamide
CID 110286534
N-(1H-indol-3-ylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 110357480

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-2-(tritylamino)propanamide;molecular hydrogen?
The IUPAC name of 3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-2-(tritylamino)propanamide;molecular hydrogen (CID 159748333) is 3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-2-(tritylamino)propanamide;molecular hydrogen.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-2-(tritylamino)propanamide;molecular hydrogen?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-2-(tritylamino)propanamide;molecular hydrogen is COc1ccccc1CNC(=O)C(Cc1c[nH]c2ccccc12)NC(c1ccccc1)(c1ccccc1)c1ccccc1.[H][H].
What is the InChIKey of 3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-2-(tritylamino)propanamide;molecular hydrogen?
The InChIKey is OTSKJMAITIMUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H35N3O2.H2/c1-43-36-24-14-11-15-28(36)26-40-37(42)35(25-29-27-39-34-23-13-12-22-33(29)34)41-38(30-16-5-2-6-17-30,31-18-7-3-8-19-31)32-20-9-4-10-21-32;/h2-24,27,35,39,41H,25-26H2,1H3,(H,40,42);1H.
What are the key properties of 3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-2-(tritylamino)propanamide;molecular hydrogen?
3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-2-(tritylamino)propanamide;molecular hydrogen has a molecular weight of 567.73 g/mol, XLogP of 7.23, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[(2-methoxyphenyl)methyl]-2-(tritylamino)propanamide;molecular hydrogen is sourced from PubChem (CID 159748333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).