N-[N'-[2-(1H-indol-3-yl)ethyl]-N-(2-methylphenyl)carbamimidoyl]pentanamide

C23H28N4O — CID 46282878

IUPACN-[N'-[2-(1H-indol-3-yl)ethyl]-N-(2-methylphenyl)carbamimidoyl]pentanamide
SMILESCCCCC(=O)N/C(=N\CCc1c[nH]c2ccccc12)Nc1ccccc1C
InChIInChI=1S/C23H28N4O/c1-3-4-13-22(28)27-23(26-20-11-7-5-9-17(20)2)24-15-14-18-16-25-21-12-8-6-10-19(18)21/h5-12,16,25H,3-4,13-15H2,1-2H3,(H2,24,26,27,28)
InChIKeyHKWDXHBUZPKUOH-UHFFFAOYSA-N
MW376.50 g/mol
LogP4.79
Rot. Bonds7

About N-[N'-[2-(1H-indol-3-yl)ethyl]-N-(2-methylphenyl)carbamimidoyl]pentanamide

N-[N'-[2-(1H-indol-3-yl)ethyl]-N-(2-methylphenyl)carbamimidoyl]pentanamide (PubChem CID 46282878) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[N'-[2-(1H-indol-3-yl)ethyl]-N-(2-methylphenyl)carbamimidoyl]pentanamide.

Molecular Properties

Compound NameN-[N'-[2-(1H-indol-3-yl)ethyl]-N-(2-methylphenyl)carbamimidoyl]pentanamide
PubChem CID46282878
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC NameN-[N'-[2-(1H-indol-3-yl)ethyl]-N-(2-methylphenyl)carbamimidoyl]pentanamide
SMILESCCCCC(=O)N/C(=N\CCc1c[nH]c2ccccc12)Nc1ccccc1C
InChIInChI=1S/C23H28N4O/c1-3-4-13-22(28)27-23(26-20-11-7-5-9-17(20)2)24-15-14-18-16-25-21-12-8-6-10-19(18)21/h5-12,16,25H,3-4,13-15H2,1-2H3,(H2,24,26,27,28)
InChIKeyHKWDXHBUZPKUOH-UHFFFAOYSA-N
XLogP4.79
TPSA69.28 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[N'-[2-(1H-indol-3-yl)ethyl]-N-(2-methylphenyl)carbamimidoyl]-4-methylbenzamide
CID 53209650
4-chloro-N-[N-(2-ethylphenyl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide
CID 46283061
3-(dimethylamino)-N-[N-(2,3-dimethylphenyl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide
CID 46283107
4-(1H-indol-3-yl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 25161859
N-[N-(2-fluorophenyl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide
CID 46283103
1-[2-(1H-indol-3-yl)ethyl]-3-(2-methylphenyl)urea
CID 2238398
N-[N-(2-ethoxyphenyl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-2-methoxybenzamide
CID 46282934
N-[N-(3-chloro-2-methylphenyl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-3-methylbenzamide
CID 46283013
4-ethoxy-N-[N-(2-fluorophenyl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide
CID 46283100
N-[N-(3-chloro-2-methylphenyl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]-2-fluorobenzamide
CID 46283009
N-[4-[2-(1H-indol-3-yl)ethylamino]phenyl]pentanamide
CID 112984004
N-[N-(3,5-dimethylphenyl)-N'-[2-(1H-indol-3-yl)ethyl]carbamimidoyl]benzamide
CID 53209676

Frequently Asked Questions

What is the IUPAC name of N-[N'-[2-(1H-indol-3-yl)ethyl]-N-(2-methylphenyl)carbamimidoyl]pentanamide?
The IUPAC name of N-[N'-[2-(1H-indol-3-yl)ethyl]-N-(2-methylphenyl)carbamimidoyl]pentanamide (CID 46282878) is N-[N'-[2-(1H-indol-3-yl)ethyl]-N-(2-methylphenyl)carbamimidoyl]pentanamide.
What is the SMILES notation for N-[N'-[2-(1H-indol-3-yl)ethyl]-N-(2-methylphenyl)carbamimidoyl]pentanamide?
The canonical SMILES for N-[N'-[2-(1H-indol-3-yl)ethyl]-N-(2-methylphenyl)carbamimidoyl]pentanamide is CCCCC(=O)N/C(=N\CCc1c[nH]c2ccccc12)Nc1ccccc1C.
What is the InChIKey of N-[N'-[2-(1H-indol-3-yl)ethyl]-N-(2-methylphenyl)carbamimidoyl]pentanamide?
The InChIKey is HKWDXHBUZPKUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-3-4-13-22(28)27-23(26-20-11-7-5-9-17(20)2)24-15-14-18-16-25-21-12-8-6-10-19(18)21/h5-12,16,25H,3-4,13-15H2,1-2H3,(H2,24,26,27,28).
What are the key properties of N-[N'-[2-(1H-indol-3-yl)ethyl]-N-(2-methylphenyl)carbamimidoyl]pentanamide?
N-[N'-[2-(1H-indol-3-yl)ethyl]-N-(2-methylphenyl)carbamimidoyl]pentanamide has a molecular weight of 376.50 g/mol, XLogP of 4.79, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[N'-[2-(1H-indol-3-yl)ethyl]-N-(2-methylphenyl)carbamimidoyl]pentanamide is sourced from PubChem (CID 46282878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).