N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]-1-phenylcyclopentane-1-carboxamide

C25H30N2O — CID 142886363

IUPACN-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]-1-phenylcyclopentane-1-carboxamide
SMILESCCC(C)(C)c1cc2cc(NC(=O)C3(c4ccccc4)CCCC3)ccc2[nH]1
InChIInChI=1S/C25H30N2O/c1-4-24(2,3)22-17-18-16-20(12-13-21(18)27-22)26-23(28)25(14-8-9-15-25)19-10-6-5-7-11-19/h5-7,10-13,16-17,27H,4,8-9,14-15H2,1-3H3,(H,26,28)
InChIKeyDLKXPVYIDGZOLB-UHFFFAOYSA-N
MW374.53 g/mol
LogP6.31
Rot. Bonds5

About N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]-1-phenylcyclopentane-1-carboxamide

N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]-1-phenylcyclopentane-1-carboxamide (PubChem CID 142886363) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]-1-phenylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]-1-phenylcyclopentane-1-carboxamide
PubChem CID142886363
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC NameN-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]-1-phenylcyclopentane-1-carboxamide
SMILESCCC(C)(C)c1cc2cc(NC(=O)C3(c4ccccc4)CCCC3)ccc2[nH]1
InChIInChI=1S/C25H30N2O/c1-4-24(2,3)22-17-18-16-20(12-13-21(18)27-22)26-23(28)25(14-8-9-15-25)19-10-6-5-7-11-19/h5-7,10-13,16-17,27H,4,8-9,14-15H2,1-3H3,(H,26,28)
InChIKeyDLKXPVYIDGZOLB-UHFFFAOYSA-N
XLogP6.31
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]benzenesulfonamide
CID 4109494
[2-[5-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-1H-indol-2-yl]-2-methylpropyl]carbamic acid
CID 67043946
N-(2-tert-butyl-1H-indol-5-yl)-1-(3-methoxy-4-phenylmethoxyphenyl)cyclopropane-1-carboxamide;molecular hydrogen
CID 157159685
N-(3,4-difluorophenyl)-1-phenylcyclopentane-1-carboxamide
CID 4646133
N-(2-tert-butyl-1H-indol-5-yl)-1-(3-fluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 134547462
N-(2-tert-butyl-1H-indol-5-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)cyclopropane-1-carboxamide
CID 24762820
CID 143559102
CID 143559102
1-(1,3-benzodioxol-5-yl)-N-[2-[2-methyl-4-(methylideneamino)butan-2-yl]-1H-indol-5-yl]cyclopropane-1-carboxamide
CID 59636915
N-(2-tert-butyl-1H-indol-5-yl)-1-(2-methyl-3H-benzimidazol-5-yl)cyclopropane-1-carboxamide
CID 46199555
N-(1H-indol-5-yl)-4-phenyloxane-4-carboxamide
CID 56763708
CID 143559101
CID 143559101
N-(3-methyl-4-propoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 100658553

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]-1-phenylcyclopentane-1-carboxamide?
The IUPAC name of N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]-1-phenylcyclopentane-1-carboxamide (CID 142886363) is N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]-1-phenylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]-1-phenylcyclopentane-1-carboxamide?
The canonical SMILES for N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]-1-phenylcyclopentane-1-carboxamide is CCC(C)(C)c1cc2cc(NC(=O)C3(c4ccccc4)CCCC3)ccc2[nH]1.
What is the InChIKey of N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]-1-phenylcyclopentane-1-carboxamide?
The InChIKey is DLKXPVYIDGZOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-4-24(2,3)22-17-18-16-20(12-13-21(18)27-22)26-23(28)25(14-8-9-15-25)19-10-6-5-7-11-19/h5-7,10-13,16-17,27H,4,8-9,14-15H2,1-3H3,(H,26,28).
What are the key properties of N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]-1-phenylcyclopentane-1-carboxamide?
N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]-1-phenylcyclopentane-1-carboxamide has a molecular weight of 374.53 g/mol, XLogP of 6.31, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylbutan-2-yl)-1H-indol-5-yl]-1-phenylcyclopentane-1-carboxamide is sourced from PubChem (CID 142886363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).