N-[4-(3-amino-3-oxopropoxy)phenyl]-1-cyclohexyl-5-methoxy-2-methylindole-3-carboxamide

C26H31N3O4 — CID 112842247

IUPACN-[4-(3-amino-3-oxopropoxy)phenyl]-1-cyclohexyl-5-methoxy-2-methylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)Nc1ccc(OCCC(N)=O)cc1)c(C)n2C1CCCCC1
InChIInChI=1S/C26H31N3O4/c1-17-25(26(31)28-18-8-10-20(11-9-18)33-15-14-24(27)30)22-16-21(32-2)12-13-23(22)29(17)19-6-4-3-5-7-19/h8-13,16,19H,3-7,14-15H2,1-2H3,(H2,27,30)(H,28,31)
InChIKeyBGENBLMDEQEPNP-UHFFFAOYSA-N
MW449.55 g/mol
LogP4.97
Rot. Bonds8

About N-[4-(3-amino-3-oxopropoxy)phenyl]-1-cyclohexyl-5-methoxy-2-methylindole-3-carboxamide

N-[4-(3-amino-3-oxopropoxy)phenyl]-1-cyclohexyl-5-methoxy-2-methylindole-3-carboxamide (PubChem CID 112842247) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[4-(3-amino-3-oxopropoxy)phenyl]-1-cyclohexyl-5-methoxy-2-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-amino-3-oxopropoxy)phenyl]-1-cyclohexyl-5-methoxy-2-methylindole-3-carboxamide
PubChem CID112842247
Molecular FormulaC26H31N3O4
Molecular Weight449.55 g/mol
Exact Mass449.23
IUPAC NameN-[4-(3-amino-3-oxopropoxy)phenyl]-1-cyclohexyl-5-methoxy-2-methylindole-3-carboxamide
SMILESCOc1ccc2c(c1)c(C(=O)Nc1ccc(OCCC(N)=O)cc1)c(C)n2C1CCCCC1
InChIInChI=1S/C26H31N3O4/c1-17-25(26(31)28-18-8-10-20(11-9-18)33-15-14-24(27)30)22-16-21(32-2)12-13-23(22)29(17)19-6-4-3-5-7-19/h8-13,16,19H,3-7,14-15H2,1-2H3,(H2,27,30)(H,28,31)
InChIKeyBGENBLMDEQEPNP-UHFFFAOYSA-N
XLogP4.97
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.55
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-N-(1-ethylpyrazol-4-yl)-5-methoxy-2-methylindole-3-carboxamide
CID 112820627
1-cyclohexyl-N-(2-hydroxyethyl)-5-methoxy-2-methylindole-3-carboxamide
CID 110878033
1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate
CID 6954360
1-cyclohexyl-5-methoxy-2-methyl-N-quinolin-5-ylindole-3-carboxamide
CID 4842459
1-cyclohexyl-5-methoxy-2-methyl-N-(3-morpholin-4-yl-3-oxopropyl)indole-3-carboxamide
CID 112815425
1-cyclohexyl-5-methoxy-2-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]indole-3-carboxamide
CID 112795503
prop-2-ynyl (E)-4-[(1-cyclopentyl-5-methoxy-2-methylindole-3-carbonyl)amino]but-2-enoate
CID 118669171
1-cyclohexyl-N-(3-imidazol-1-ylpropyl)-5-methoxy-2-methylindole-3-carboxamide
CID 112767949
1-cyclohexyl-5-methoxy-2-methyl-N-(1-pyridin-3-ylethyl)indole-3-carboxamide
CID 112772126
1-cyclohexyl-5-methoxy-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)indole-3-carboxamide
CID 112827378
1-cyclohexyl-5-methoxy-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]indole-3-carboxamide
CID 112819708
1-cyclohexyl-5-methoxy-2-methyl-N-[(2-pyrazol-1-yl-4-pyridinyl)methyl]indole-3-carboxamide
CID 112820584

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-3-oxopropoxy)phenyl]-1-cyclohexyl-5-methoxy-2-methylindole-3-carboxamide?
The IUPAC name of N-[4-(3-amino-3-oxopropoxy)phenyl]-1-cyclohexyl-5-methoxy-2-methylindole-3-carboxamide (CID 112842247) is N-[4-(3-amino-3-oxopropoxy)phenyl]-1-cyclohexyl-5-methoxy-2-methylindole-3-carboxamide.
What is the SMILES notation for N-[4-(3-amino-3-oxopropoxy)phenyl]-1-cyclohexyl-5-methoxy-2-methylindole-3-carboxamide?
The canonical SMILES for N-[4-(3-amino-3-oxopropoxy)phenyl]-1-cyclohexyl-5-methoxy-2-methylindole-3-carboxamide is COc1ccc2c(c1)c(C(=O)Nc1ccc(OCCC(N)=O)cc1)c(C)n2C1CCCCC1.
What is the InChIKey of N-[4-(3-amino-3-oxopropoxy)phenyl]-1-cyclohexyl-5-methoxy-2-methylindole-3-carboxamide?
The InChIKey is BGENBLMDEQEPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-17-25(26(31)28-18-8-10-20(11-9-18)33-15-14-24(27)30)22-16-21(32-2)12-13-23(22)29(17)19-6-4-3-5-7-19/h8-13,16,19H,3-7,14-15H2,1-2H3,(H2,27,30)(H,28,31).
What are the key properties of N-[4-(3-amino-3-oxopropoxy)phenyl]-1-cyclohexyl-5-methoxy-2-methylindole-3-carboxamide?
N-[4-(3-amino-3-oxopropoxy)phenyl]-1-cyclohexyl-5-methoxy-2-methylindole-3-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 4.97, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-3-oxopropoxy)phenyl]-1-cyclohexyl-5-methoxy-2-methylindole-3-carboxamide is sourced from PubChem (CID 112842247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).