2-[cyclohexylcarbamoyl(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C30H39FN4O2 — CID 4141578

IUPAC2-[cyclohexylcarbamoyl(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C30H39FN4O2/c1-22(2)19-35(30(37)33-26-8-4-3-5-9-26)21-29(36)34(20-23-12-14-25(31)15-13-23)17-16-24-18-32-28-11-7-6-10-27(24)28/h6-7,10-15,18,22,26,32H,3-5,8-9,16-17,19-21H2,1-2H3,(H,33,37)
InChIKeyCRUKZTPQHNAEJG-UHFFFAOYSA-N
MW506.67 g/mol
LogP5.88
Rot. Bonds10

About 2-[cyclohexylcarbamoyl(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-[cyclohexylcarbamoyl(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 4141578) has the molecular formula C30H39FN4O2 and a molecular weight of 506.67 g/mol. Its IUPAC name is 2-[cyclohexylcarbamoyl(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[cyclohexylcarbamoyl(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID4141578
Molecular FormulaC30H39FN4O2
Molecular Weight506.67 g/mol
Exact Mass506.31
IUPAC Name2-[cyclohexylcarbamoyl(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1)C(=O)NC1CCCCC1
InChIInChI=1S/C30H39FN4O2/c1-22(2)19-35(30(37)33-26-8-4-3-5-9-26)21-29(36)34(20-23-12-14-25(31)15-13-23)17-16-24-18-32-28-11-7-6-10-27(24)28/h6-7,10-15,18,22,26,32H,3-5,8-9,16-17,19-21H2,1-2H3,(H,33,37)
InChIKeyCRUKZTPQHNAEJG-UHFFFAOYSA-N
XLogP5.88
TPSA68.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.67
LogP ≤ 55.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclohexylcarbamoyl(2-methylpropyl)amino]-N-[(3,4-dimethoxyphenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 42772190
N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propylcyclohexanecarboxamide
CID 4095476
N-benzyl-2-[(3-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 5068445
N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-propan-2-ylcyclopropanecarboxamide
CID 4086438
2-[acetyl(2-methylpropyl)amino]-N-benzyl-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 42772039
N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)cyclohexanecarboxamide
CID 3593629
N-[2-[benzyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3-methyl-N-(2-methylpropyl)butanamide
CID 42772049
2-[(2-fluorophenyl)carbamoyl-(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 4252895
2-[acetyl(propan-2-yl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 42770579
2-[(2-ethoxyphenyl)carbamoyl-(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 4189344
N-butyl-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]-3-methylbutanamide
CID 4250882
N-cyclopropyl-4-fluoro-N-[2-[(4-fluorophenyl)methyl-[2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]benzamide
CID 4131063

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexylcarbamoyl(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[cyclohexylcarbamoyl(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 4141578) is 2-[cyclohexylcarbamoyl(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[cyclohexylcarbamoyl(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[cyclohexylcarbamoyl(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is CC(C)CN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[cyclohexylcarbamoyl(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is CRUKZTPQHNAEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39FN4O2/c1-22(2)19-35(30(37)33-26-8-4-3-5-9-26)21-29(36)34(20-23-12-14-25(31)15-13-23)17-16-24-18-32-28-11-7-6-10-27(24)28/h6-7,10-15,18,22,26,32H,3-5,8-9,16-17,19-21H2,1-2H3,(H,33,37).
What are the key properties of 2-[cyclohexylcarbamoyl(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[cyclohexylcarbamoyl(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 506.67 g/mol, XLogP of 5.88, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexylcarbamoyl(2-methylpropyl)amino]-N-[(4-fluorophenyl)methyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 4141578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).