N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide

C27H29N3O3 — CID 129111079

IUPACN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide
SMILESCOc1cccc(N(C)Cc2ccc(C(=O)NCCc3c[nH]c4ccc(OC)cc34)cc2)c1
InChIInChI=1S/C27H29N3O3/c1-30(22-5-4-6-23(15-22)32-2)18-19-7-9-20(10-8-19)27(31)28-14-13-21-17-29-26-12-11-24(33-3)16-25(21)26/h4-12,15-17,29H,13-14,18H2,1-3H3,(H,28,31)
InChIKeyGWLQMMNRFSVLBK-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.79
Rot. Bonds9

About N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide (PubChem CID 129111079) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide
PubChem CID129111079
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC NameN-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide
SMILESCOc1cccc(N(C)Cc2ccc(C(=O)NCCc3c[nH]c4ccc(OC)cc34)cc2)c1
InChIInChI=1S/C27H29N3O3/c1-30(22-5-4-6-23(15-22)32-2)18-19-7-9-20(10-8-19)27(31)28-14-13-21-17-29-26-12-11-24(33-3)16-25(21)26/h4-12,15-17,29H,13-14,18H2,1-3H3,(H,28,31)
InChIKeyGWLQMMNRFSVLBK-UHFFFAOYSA-N
XLogP4.79
TPSA66.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-chloro-N-methylanilino)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 129111066
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
2-[4-(dimethylamino)phenyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 18794242
3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177
2-(3-methoxyphenyl)ethyl N-[2-(5-methoxy-1H-indol-3-yl)ethyl]carbamate
CID 6733827
potassium;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide;hydroxide
CID 174776187
6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 146092029
1-benzyl-3-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 18947306
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-4-[(2-methoxyphenoxy)methyl]benzamide
CID 4898664
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-(2-propan-2-yltetrazol-5-yl)benzamide
CID 75491978
N-[2-(1H-indol-3-yl)ethyl]-3,5-dimethoxybenzamide
CID 9120119
2-benzyl-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 53089347

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide?
The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide (CID 129111079) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide.
What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide?
The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide is COc1cccc(N(C)Cc2ccc(C(=O)NCCc3c[nH]c4ccc(OC)cc34)cc2)c1.
What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide?
The InChIKey is GWLQMMNRFSVLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-30(22-5-4-6-23(15-22)32-2)18-19-7-9-20(10-8-19)27(31)28-14-13-21-17-29-26-12-11-24(33-3)16-25(21)26/h4-12,15-17,29H,13-14,18H2,1-3H3,(H,28,31).
What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide?
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide has a molecular weight of 443.55 g/mol, XLogP of 4.79, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-[(3-methoxy-N-methylanilino)methyl]benzamide is sourced from PubChem (CID 129111079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).