N-hydroxy-3-[1-[2-hydroxyethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]propanamide

C24H29N3O3 — CID 58613508

IUPACN-hydroxy-3-[1-[2-hydroxyethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]propanamide
SMILESO=C(CCc1ccc2c(c1)CCC2N(CCO)CCn1ccc2ccccc21)NO
InChIInChI=1S/C24H29N3O3/c28-16-15-27(14-13-26-12-11-19-3-1-2-4-22(19)26)23-9-7-20-17-18(5-8-21(20)23)6-10-24(29)25-30/h1-5,8,11-12,17,23,28,30H,6-7,9-10,13-16H2,(H,25,29)
InChIKeyAAJRIDCODMMVNI-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.06
Rot. Bonds9

About N-hydroxy-3-[1-[2-hydroxyethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]propanamide

N-hydroxy-3-[1-[2-hydroxyethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]propanamide (PubChem CID 58613508) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-hydroxy-3-[1-[2-hydroxyethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[1-[2-hydroxyethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]propanamide
PubChem CID58613508
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-hydroxy-3-[1-[2-hydroxyethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]propanamide
SMILESO=C(CCc1ccc2c(c1)CCC2N(CCO)CCn1ccc2ccccc21)NO
InChIInChI=1S/C24H29N3O3/c28-16-15-27(14-13-26-12-11-19-3-1-2-4-22(19)26)23-9-7-20-17-18(5-8-21(20)23)6-10-24(29)25-30/h1-5,8,11-12,17,23,28,30H,6-7,9-10,13-16H2,(H,25,29)
InChIKeyAAJRIDCODMMVNI-UHFFFAOYSA-N
XLogP3.06
TPSA77.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[1-[2-hydroxyethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]propanamide?
The IUPAC name of N-hydroxy-3-[1-[2-hydroxyethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]propanamide (CID 58613508) is N-hydroxy-3-[1-[2-hydroxyethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[1-[2-hydroxyethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[1-[2-hydroxyethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]propanamide is O=C(CCc1ccc2c(c1)CCC2N(CCO)CCn1ccc2ccccc21)NO.
What is the InChIKey of N-hydroxy-3-[1-[2-hydroxyethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]propanamide?
The InChIKey is AAJRIDCODMMVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c28-16-15-27(14-13-26-12-11-19-3-1-2-4-22(19)26)23-9-7-20-17-18(5-8-21(20)23)6-10-24(29)25-30/h1-5,8,11-12,17,23,28,30H,6-7,9-10,13-16H2,(H,25,29).
What are the key properties of N-hydroxy-3-[1-[2-hydroxyethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]propanamide?
N-hydroxy-3-[1-[2-hydroxyethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]propanamide has a molecular weight of 407.51 g/mol, XLogP of 3.06, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[1-[2-hydroxyethyl(2-indol-1-ylethyl)amino]-2,3-dihydro-1H-inden-5-yl]propanamide is sourced from PubChem (CID 58613508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).