N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]naphthalene-1-carboxamide

C29H26N2O — CID 1057302

IUPACN-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]naphthalene-1-carboxamide
SMILESCc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C29H26N2O/c1-21-13-15-22(16-14-21)20-31(18-17-24-19-30-28-12-5-4-10-26(24)28)29(32)27-11-6-8-23-7-2-3-9-25(23)27/h2-16,19,30H,17-18,20H2,1H3
InChIKeyVFWGUIWJHNWSNE-UHFFFAOYSA-N
MW418.54 g/mol
LogP6.51
Rot. Bonds6

About N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]naphthalene-1-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]naphthalene-1-carboxamide (PubChem CID 1057302) has the molecular formula C29H26N2O and a molecular weight of 418.54 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]naphthalene-1-carboxamide
PubChem CID1057302
Molecular FormulaC29H26N2O
Molecular Weight418.54 g/mol
Exact Mass418.20
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]naphthalene-1-carboxamide
SMILESCc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)c2cccc3ccccc23)cc1
InChIInChI=1S/C29H26N2O/c1-21-13-15-22(16-14-21)20-31(18-17-24-19-30-28-12-5-4-10-26(24)28)29(32)27-11-6-8-23-7-2-3-9-25(23)27/h2-16,19,30H,17-18,20H2,1H3
InChIKeyVFWGUIWJHNWSNE-UHFFFAOYSA-N
XLogP6.51
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]benzamide
CID 1057301
N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(2-methoxyethyl)naphthalene-1-carboxamide
CID 4171560
N-[2-[(4-ethoxyphenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]naphthalene-1-carboxamide
CID 42777758
N-[(4-fluorophenyl)methyl]-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-phenylbenzamide
CID 42777098
N-[(4-fluorophenyl)methyl]-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-methylbenzamide
CID 42777103
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-methoxybenzamide
CID 4656430
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-N-propan-2-ylpropanamide
CID 42772532
N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 3650559
4-ethyl-N-[(4-fluorophenyl)methyl]-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 42777113
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-4-methoxy-N-propylbenzamide
CID 5047738
N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-3-methyl-N-propan-2-ylbutanamide
CID 3612525
N-cyclopropyl-N-[2-[2-(1H-indol-3-yl)ethyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 42772542

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]naphthalene-1-carboxamide (CID 1057302) is N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]naphthalene-1-carboxamide is Cc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)c2cccc3ccccc23)cc1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]naphthalene-1-carboxamide?
The InChIKey is VFWGUIWJHNWSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2O/c1-21-13-15-22(16-14-21)20-31(18-17-24-19-30-28-12-5-4-10-26(24)28)29(32)27-11-6-8-23-7-2-3-9-25(23)27/h2-16,19,30H,17-18,20H2,1H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]naphthalene-1-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]naphthalene-1-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 6.51, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-N-[(4-methylphenyl)methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 1057302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).