N-cyclopropyl-1-(2-methylpropyl)-4-phenylmethoxyindole-2-carboxamide

C23H26N2O2 — CID 42807240

IUPACN-cyclopropyl-1-(2-methylpropyl)-4-phenylmethoxyindole-2-carboxamide
SMILESCC(C)Cn1c(C(=O)NC2CC2)cc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C23H26N2O2/c1-16(2)14-25-20-9-6-10-22(27-15-17-7-4-3-5-8-17)19(20)13-21(25)23(26)24-18-11-12-18/h3-10,13,16,18H,11-12,14-15H2,1-2H3,(H,24,26)
InChIKeyRBZFMQOSEVXILV-UHFFFAOYSA-N
MW362.47 g/mol
LogP4.77
Rot. Bonds7

About N-cyclopropyl-1-(2-methylpropyl)-4-phenylmethoxyindole-2-carboxamide

N-cyclopropyl-1-(2-methylpropyl)-4-phenylmethoxyindole-2-carboxamide (PubChem CID 42807240) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-cyclopropyl-1-(2-methylpropyl)-4-phenylmethoxyindole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2-methylpropyl)-4-phenylmethoxyindole-2-carboxamide
PubChem CID42807240
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-cyclopropyl-1-(2-methylpropyl)-4-phenylmethoxyindole-2-carboxamide
SMILESCC(C)Cn1c(C(=O)NC2CC2)cc2c(OCc3ccccc3)cccc21
InChIInChI=1S/C23H26N2O2/c1-16(2)14-25-20-9-6-10-22(27-15-17-7-4-3-5-8-17)19(20)13-21(25)23(26)24-18-11-12-18/h3-10,13,16,18H,11-12,14-15H2,1-2H3,(H,24,26)
InChIKeyRBZFMQOSEVXILV-UHFFFAOYSA-N
XLogP4.77
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-[(2-fluorophenyl)methoxy]-1-propylindole-2-carboxamide
CID 42803998
1-benzyl-N-hexyl-4-phenylmethoxyindole-2-carboxamide
CID 42804017
4-phenylmethoxy-N-(2-piperidin-1-ylethyl)-1-propylindole-2-carboxamide
CID 42804025
(4-methylpiperidin-1-yl)-(4-phenylmethoxy-1-propylindol-2-yl)methanone
CID 42666955
1-(2-methoxyethyl)-4-phenylmethoxy-N-(pyridin-2-ylmethyl)indole-2-carboxamide
CID 42667450
2-amino-N-cyclopropyl-3-methoxy-4-phenylmethoxybenzamide
CID 162701297
N-(4-hydroxycyclohexyl)-2-[(3-methylphenyl)methoxy]benzamide
CID 24982275
1-ethyl-2-methyl-4-phenylmethoxyindole
CID 143459562
N-(4-hydroxycyclohexyl)-3-phenylmethoxybenzamide
CID 17447563
N-(1-phenylethyl)-4-prop-2-enoxy-1-prop-2-enylindole-2-carboxamide
CID 42804623
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-methylazanium
CID 8694028
benzyl 4-[4-[4-[(4-ethoxy-1-ethylindole-2-carbonyl)amino]phenyl]piperazine-1-carbonyl]cyclohexane-1-carboxylate
CID 66772407

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2-methylpropyl)-4-phenylmethoxyindole-2-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2-methylpropyl)-4-phenylmethoxyindole-2-carboxamide (CID 42807240) is N-cyclopropyl-1-(2-methylpropyl)-4-phenylmethoxyindole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2-methylpropyl)-4-phenylmethoxyindole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2-methylpropyl)-4-phenylmethoxyindole-2-carboxamide is CC(C)Cn1c(C(=O)NC2CC2)cc2c(OCc3ccccc3)cccc21.
What is the InChIKey of N-cyclopropyl-1-(2-methylpropyl)-4-phenylmethoxyindole-2-carboxamide?
The InChIKey is RBZFMQOSEVXILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-16(2)14-25-20-9-6-10-22(27-15-17-7-4-3-5-8-17)19(20)13-21(25)23(26)24-18-11-12-18/h3-10,13,16,18H,11-12,14-15H2,1-2H3,(H,24,26).
What are the key properties of N-cyclopropyl-1-(2-methylpropyl)-4-phenylmethoxyindole-2-carboxamide?
N-cyclopropyl-1-(2-methylpropyl)-4-phenylmethoxyindole-2-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 4.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2-methylpropyl)-4-phenylmethoxyindole-2-carboxamide is sourced from PubChem (CID 42807240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).