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

C30H41ClN2O2 — CID 42695765

IUPACN-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N(CCc1c[nH]c2ccc(OC)cc12)Cc1ccc(Cl)cc1
InChIInChI=1S/C30H41ClN2O2/c1-3-4-5-6-7-8-9-10-11-12-30(34)33(23-24-13-15-26(31)16-14-24)20-19-25-22-32-29-18-17-27(35-2)21-28(25)29/h13-18,21-22,32H,3-12,19-20,23H2,1-2H3
InChIKeyHZTNCHCQVWMIGV-UHFFFAOYSA-N
MW497.12 g/mol
LogP8.32
Rot. Bonds16

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

N-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]dodecanamide (PubChem CID 42695765) has the molecular formula C30H41ClN2O2 and a molecular weight of 497.12 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]dodecanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]dodecanamide
PubChem CID42695765
Molecular FormulaC30H41ClN2O2
Molecular Weight497.12 g/mol
Exact Mass496.29
IUPAC NameN-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]dodecanamide
SMILESCCCCCCCCCCCC(=O)N(CCc1c[nH]c2ccc(OC)cc12)Cc1ccc(Cl)cc1
InChIInChI=1S/C30H41ClN2O2/c1-3-4-5-6-7-8-9-10-11-12-30(34)33(23-24-13-15-26(31)16-14-24)20-19-25-22-32-29-18-17-27(35-2)21-28(25)29/h13-18,21-22,32H,3-12,19-20,23H2,1-2H3
InChIKeyHZTNCHCQVWMIGV-UHFFFAOYSA-N
XLogP8.32
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.12
LogP ≤ 58.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]dodecanamide
CID 42664117
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)decanamide
CID 24717882
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)octanamide
CID 24718600
ethyl 4-[(3,4-dimethoxyphenyl)methyl-[2-(5-methoxy-1H-indol-3-yl)ethyl]amino]-4-oxobutanoate
CID 42695754
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-yloctanamide
CID 4149156
3-(4-chlorophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]urea
CID 17340921
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)pentanamide
CID 42770529
2-fluoro-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 42656999
N-[(4-ethoxyphenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 10112019
N-benzyl-N-[2-(1H-indol-3-yl)ethyl]pentanamide
CID 42695889
N-[(4-ethoxyphenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 42695733
N-butyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 3457566

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]dodecanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]dodecanamide (CID 42695765) is N-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]dodecanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]dodecanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]dodecanamide is CCCCCCCCCCCC(=O)N(CCc1c[nH]c2ccc(OC)cc12)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]dodecanamide?
The InChIKey is HZTNCHCQVWMIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41ClN2O2/c1-3-4-5-6-7-8-9-10-11-12-30(34)33(23-24-13-15-26(31)16-14-24)20-19-25-22-32-29-18-17-27(35-2)21-28(25)29/h13-18,21-22,32H,3-12,19-20,23H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]dodecanamide?
N-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]dodecanamide has a molecular weight of 497.12 g/mol, XLogP of 8.32, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]dodecanamide is sourced from PubChem (CID 42695765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).