4-(propan-2-ylcarbamoylamino)-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]benzamide

C24H30N4O3 — CID 146093991

IUPAC4-(propan-2-ylcarbamoylamino)-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]benzamide
SMILESCCCOc1ccc2[nH]cc(CCNC(=O)c3ccc(NC(=O)NC(C)C)cc3)c2c1
InChIInChI=1S/C24H30N4O3/c1-4-13-31-20-9-10-22-21(14-20)18(15-26-22)11-12-25-23(29)17-5-7-19(8-6-17)28-24(30)27-16(2)3/h5-10,14-16,26H,4,11-13H2,1-3H3,(H,25,29)(H2,27,28,30)
InChIKeyNNQUECWOEWGLPT-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.46
Rot. Bonds9

About 4-(propan-2-ylcarbamoylamino)-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]benzamide

4-(propan-2-ylcarbamoylamino)-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]benzamide (PubChem CID 146093991) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 4-(propan-2-ylcarbamoylamino)-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(propan-2-ylcarbamoylamino)-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]benzamide
PubChem CID146093991
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name4-(propan-2-ylcarbamoylamino)-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]benzamide
SMILESCCCOc1ccc2[nH]cc(CCNC(=O)c3ccc(NC(=O)NC(C)C)cc3)c2c1
InChIInChI=1S/C24H30N4O3/c1-4-13-31-20-9-10-22-21(14-20)18(15-26-22)11-12-25-23(29)17-5-7-19(8-6-17)28-24(30)27-16(2)3/h5-10,14-16,26H,4,11-13H2,1-3H3,(H,25,29)(H2,27,28,30)
InChIKeyNNQUECWOEWGLPT-UHFFFAOYSA-N
XLogP4.46
TPSA95.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

5-hydroxy-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]pyrimidine-2-carboxamide
CID 167870343
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-(propanoylamino)benzamide
CID 17272039
1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-3-(4-propan-2-ylphenyl)urea
CID 23605243
[4-[2-(5-methoxy-1H-indol-3-yl)ethylcarbamoyl]phenyl] acetate
CID 2987344
3,4-dimethoxy-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]benzamide
CID 2988177
1-[2-(5-chloro-1H-indol-3-yl)ethyl]-3-propan-2-ylurea
CID 113083690
15-(5-octoxy-1H-indol-3-yl)-N-[2-(5-octoxy-1H-indol-3-yl)ethyl]-12-oxopentadecanamide
CID 160629194
6-(2,2-dimethylpropanoylamino)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]pyridine-3-carboxamide
CID 146092029
N-[3-(methylamino)propyl]-4-(propan-2-ylcarbamoylamino)benzamide
CID 119432618
N-[4-(propan-2-ylcarbamoyl)phenyl]-3-propoxybenzamide
CID 26157621
4-[2-[[4-(propan-2-ylcarbamoylamino)benzoyl]amino]ethyl]benzoic acid
CID 119168848
N-(2-methoxyethyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 17218276

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylcarbamoylamino)-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]benzamide?
The IUPAC name of 4-(propan-2-ylcarbamoylamino)-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]benzamide (CID 146093991) is 4-(propan-2-ylcarbamoylamino)-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]benzamide.
What is the SMILES notation for 4-(propan-2-ylcarbamoylamino)-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]benzamide?
The canonical SMILES for 4-(propan-2-ylcarbamoylamino)-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]benzamide is CCCOc1ccc2[nH]cc(CCNC(=O)c3ccc(NC(=O)NC(C)C)cc3)c2c1.
What is the InChIKey of 4-(propan-2-ylcarbamoylamino)-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]benzamide?
The InChIKey is NNQUECWOEWGLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-4-13-31-20-9-10-22-21(14-20)18(15-26-22)11-12-25-23(29)17-5-7-19(8-6-17)28-24(30)27-16(2)3/h5-10,14-16,26H,4,11-13H2,1-3H3,(H,25,29)(H2,27,28,30).
What are the key properties of 4-(propan-2-ylcarbamoylamino)-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]benzamide?
4-(propan-2-ylcarbamoylamino)-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]benzamide has a molecular weight of 422.53 g/mol, XLogP of 4.46, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylcarbamoylamino)-N-[2-(5-propoxy-1H-indol-3-yl)ethyl]benzamide is sourced from PubChem (CID 146093991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).