N'-(3-carbamoylphenyl)-N-(1H-indol-5-yl)butanediamide

C19H18N4O3 — CID 59103523

IUPACN'-(3-carbamoylphenyl)-N-(1H-indol-5-yl)butanediamide
SMILESNC(=O)c1cccc(NC(=O)CCC(=O)Nc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C19H18N4O3/c20-19(26)13-2-1-3-14(11-13)22-17(24)6-7-18(25)23-15-4-5-16-12(10-15)8-9-21-16/h1-5,8-11,21H,6-7H2,(H2,20,26)(H,22,24)(H,23,25)
InChIKeyBABPZNMJCKSCOX-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.62
Rot. Bonds6

About N'-(3-carbamoylphenyl)-N-(1H-indol-5-yl)butanediamide

N'-(3-carbamoylphenyl)-N-(1H-indol-5-yl)butanediamide (PubChem CID 59103523) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N'-(3-carbamoylphenyl)-N-(1H-indol-5-yl)butanediamide.

Molecular Properties

Compound NameN'-(3-carbamoylphenyl)-N-(1H-indol-5-yl)butanediamide
PubChem CID59103523
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN'-(3-carbamoylphenyl)-N-(1H-indol-5-yl)butanediamide
SMILESNC(=O)c1cccc(NC(=O)CCC(=O)Nc2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C19H18N4O3/c20-19(26)13-2-1-3-14(11-13)22-17(24)6-7-18(25)23-15-4-5-16-12(10-15)8-9-21-16/h1-5,8-11,21H,6-7H2,(H2,20,26)(H,22,24)(H,23,25)
InChIKeyBABPZNMJCKSCOX-UHFFFAOYSA-N
XLogP2.62
TPSA117.08 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N'-(3-carbamoylphenyl)-N-(1H-indol-5-yl)butanediamide?
The IUPAC name of N'-(3-carbamoylphenyl)-N-(1H-indol-5-yl)butanediamide (CID 59103523) is N'-(3-carbamoylphenyl)-N-(1H-indol-5-yl)butanediamide.
What is the SMILES notation for N'-(3-carbamoylphenyl)-N-(1H-indol-5-yl)butanediamide?
The canonical SMILES for N'-(3-carbamoylphenyl)-N-(1H-indol-5-yl)butanediamide is NC(=O)c1cccc(NC(=O)CCC(=O)Nc2ccc3[nH]ccc3c2)c1.
What is the InChIKey of N'-(3-carbamoylphenyl)-N-(1H-indol-5-yl)butanediamide?
The InChIKey is BABPZNMJCKSCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c20-19(26)13-2-1-3-14(11-13)22-17(24)6-7-18(25)23-15-4-5-16-12(10-15)8-9-21-16/h1-5,8-11,21H,6-7H2,(H2,20,26)(H,22,24)(H,23,25).
What are the key properties of N'-(3-carbamoylphenyl)-N-(1H-indol-5-yl)butanediamide?
N'-(3-carbamoylphenyl)-N-(1H-indol-5-yl)butanediamide has a molecular weight of 350.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-carbamoylphenyl)-N-(1H-indol-5-yl)butanediamide is sourced from PubChem (CID 59103523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).