N-[(3S)-5-butyl-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide

C24H30N2O3 — CID 9178851

IUPACN-[(3S)-5-butyl-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide
SMILESCCCCc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C24H30N2O3/c1-5-6-7-18-10-13-22-21(14-18)23(25-17(4)27)24(28)26(22)15-19-8-11-20(12-9-19)29-16(2)3/h8-14,16,23H,5-7,15H2,1-4H3,(H,25,27)/t23-/m0/s1
InChIKeyHGIGXVYPBBUTLB-QHCPKHFHSA-N
MW394.52 g/mol
LogP4.54
Rot. Bonds8

About N-[(3S)-5-butyl-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide

N-[(3S)-5-butyl-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide (PubChem CID 9178851) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[(3S)-5-butyl-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-5-butyl-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide
PubChem CID9178851
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-[(3S)-5-butyl-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide
SMILESCCCCc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2Cc1ccc(OC(C)C)cc1
InChIInChI=1S/C24H30N2O3/c1-5-6-7-18-10-13-22-21(14-18)23(25-17(4)27)24(28)26(22)15-19-8-11-20(12-9-19)29-16(2)3/h8-14,16,23H,5-7,15H2,1-4H3,(H,25,27)/t23-/m0/s1
InChIKeyHGIGXVYPBBUTLB-QHCPKHFHSA-N
XLogP4.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3R)-5-chloro-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide
CID 7447387
N-[(3S)-1,5-dibutyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178813
N-[(3S)-5-butyl-1-[(2-ethoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178835
N-[(3S)-5-butyl-1-[3-(4-chlorophenoxy)propyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178903
N-[(3S)-5-methoxy-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 7693221
N-[(3S)-1-[(4-butoxyphenyl)methyl]-2-oxo-3H-indol-3-yl]acetamide
CID 9178339
N-[(3S)-5-butyl-2-oxo-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3H-indol-3-yl]acetamide
CID 9178801
N-[(3R)-1-[(4-butoxyphenyl)methyl]-5,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178730
N-[(3S)-1-benzyl-5-bromo-2-oxo-3H-indol-3-yl]acetamide
CID 2711857
N-[(3S)-1-benzyl-2-oxo-3H-indol-3-yl]acetamide
CID 720059
N-[(3S)-1-[2-(benzenesulfonyl)ethyl]-5-ethyl-2-oxo-3H-indol-3-yl]acetamide
CID 51524960
N-[(3S)-5-chloro-1-(3-naphthalen-2-yloxypropyl)-2-oxo-3H-indol-3-yl]acetamide
CID 9178998

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-butyl-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide?
The IUPAC name of N-[(3S)-5-butyl-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide (CID 9178851) is N-[(3S)-5-butyl-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-5-butyl-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide?
The canonical SMILES for N-[(3S)-5-butyl-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide is CCCCc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2Cc1ccc(OC(C)C)cc1.
What is the InChIKey of N-[(3S)-5-butyl-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide?
The InChIKey is HGIGXVYPBBUTLB-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-5-6-7-18-10-13-22-21(14-18)23(25-17(4)27)24(28)26(22)15-19-8-11-20(12-9-19)29-16(2)3/h8-14,16,23H,5-7,15H2,1-4H3,(H,25,27)/t23-/m0/s1.
What are the key properties of N-[(3S)-5-butyl-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide?
N-[(3S)-5-butyl-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide has a molecular weight of 394.52 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-5-butyl-2-oxo-1-[(4-propan-2-yloxyphenyl)methyl]-3H-indol-3-yl]acetamide is sourced from PubChem (CID 9178851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).