[3-[3-carbamoyl-2-(carbamoylamino)-1H-indol-6-yl]phenyl]methyl acetate

C19H18N4O4 — CID 59189839

IUPAC[3-[3-carbamoyl-2-(carbamoylamino)-1H-indol-6-yl]phenyl]methyl acetate
SMILESCC(=O)OCc1cccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)c1
InChIInChI=1S/C19H18N4O4/c1-10(24)27-9-11-3-2-4-12(7-11)13-5-6-14-15(8-13)22-18(23-19(21)26)16(14)17(20)25/h2-8,22H,9H2,1H3,(H2,20,25)(H3,21,23,26)
InChIKeyHRSOIIDFXNBLMC-UHFFFAOYSA-N
MW366.38 g/mol
LogP2.49
Rot. Bonds5

About [3-[3-carbamoyl-2-(carbamoylamino)-1H-indol-6-yl]phenyl]methyl acetate

[3-[3-carbamoyl-2-(carbamoylamino)-1H-indol-6-yl]phenyl]methyl acetate (PubChem CID 59189839) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is [3-[3-carbamoyl-2-(carbamoylamino)-1H-indol-6-yl]phenyl]methyl acetate.

Molecular Properties

Compound Name[3-[3-carbamoyl-2-(carbamoylamino)-1H-indol-6-yl]phenyl]methyl acetate
PubChem CID59189839
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name[3-[3-carbamoyl-2-(carbamoylamino)-1H-indol-6-yl]phenyl]methyl acetate
SMILESCC(=O)OCc1cccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)c1
InChIInChI=1S/C19H18N4O4/c1-10(24)27-9-11-3-2-4-12(7-11)13-5-6-14-15(8-13)22-18(23-19(21)26)16(14)17(20)25/h2-8,22H,9H2,1H3,(H2,20,25)(H3,21,23,26)
InChIKeyHRSOIIDFXNBLMC-UHFFFAOYSA-N
XLogP2.49
TPSA140.30 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(carbamoylamino)-6-[3-(2-hydroxyethyl)phenyl]-1H-indole-3-carboxamide
CID 24988330
6-(3-acetamidophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 59189816
6-(3-aminophenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 59189917
2-(carbamoylamino)-6-[3-(dimethylamino)phenyl]-1H-indole-3-carboxamide
CID 59189862
2-(carbamoylamino)-6-[3-[[(1-methylpiperidin-4-yl)amino]methyl]phenyl]-1H-indole-3-carboxamide
CID 59189887
2-(carbamoylamino)-6-methyl-1H-indole-3-carboxamide
CID 59189951
2-(carbamoylamino)-6-[6-(dimethylamino)-3-pyridinyl]-1H-indole-3-carboxamide
CID 59189854
6-(2-amino-3,4-dimethylphenyl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 24988325
6-[3-[[2-(dimethylamino)ethylamino]methyl]phenyl]-2-(methylamino)-1H-indole-3-carboxamide;formamide
CID 143724224
2-formamido-6-(3-methylphenyl)-1H-indole-3-carboxamide
CID 143724235
6-(1-benzothiophen-3-yl)-2-(carbamoylamino)-1H-indole-3-carboxamide
CID 59189701
2-(carbamoylamino)-6-[(cyclopentylamino)methyl]-1H-indole-3-carboxamide
CID 59189919

Frequently Asked Questions

What is the IUPAC name of [3-[3-carbamoyl-2-(carbamoylamino)-1H-indol-6-yl]phenyl]methyl acetate?
The IUPAC name of [3-[3-carbamoyl-2-(carbamoylamino)-1H-indol-6-yl]phenyl]methyl acetate (CID 59189839) is [3-[3-carbamoyl-2-(carbamoylamino)-1H-indol-6-yl]phenyl]methyl acetate.
What is the SMILES notation for [3-[3-carbamoyl-2-(carbamoylamino)-1H-indol-6-yl]phenyl]methyl acetate?
The canonical SMILES for [3-[3-carbamoyl-2-(carbamoylamino)-1H-indol-6-yl]phenyl]methyl acetate is CC(=O)OCc1cccc(-c2ccc3c(C(N)=O)c(NC(N)=O)[nH]c3c2)c1.
What is the InChIKey of [3-[3-carbamoyl-2-(carbamoylamino)-1H-indol-6-yl]phenyl]methyl acetate?
The InChIKey is HRSOIIDFXNBLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-10(24)27-9-11-3-2-4-12(7-11)13-5-6-14-15(8-13)22-18(23-19(21)26)16(14)17(20)25/h2-8,22H,9H2,1H3,(H2,20,25)(H3,21,23,26).
What are the key properties of [3-[3-carbamoyl-2-(carbamoylamino)-1H-indol-6-yl]phenyl]methyl acetate?
[3-[3-carbamoyl-2-(carbamoylamino)-1H-indol-6-yl]phenyl]methyl acetate has a molecular weight of 366.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-carbamoyl-2-(carbamoylamino)-1H-indol-6-yl]phenyl]methyl acetate is sourced from PubChem (CID 59189839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).