N-[(2R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-3-(5-hydroxypent-1-ynyl)benzamide

C23H24N2O3 — CID 68887959

IUPACN-[(2R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-3-(5-hydroxypent-1-ynyl)benzamide
SMILESC[C@H](c1c[nH]c2ccccc12)C(O)NC(=O)c1cccc(C#CCCCO)c1
InChIInChI=1S/C23H24N2O3/c1-16(20-15-24-21-12-5-4-11-19(20)21)22(27)25-23(28)18-10-7-9-17(14-18)8-3-2-6-13-26/h4-5,7,9-12,14-16,22,24,26-27H,2,6,13H2,1H3,(H,25,28)/t16-,22?/m1/s1
InChIKeyGDIGWHLTRKXRFU-XESZBRCGSA-N
MW376.46 g/mol
LogP3.14
Rot. Bonds6

About N-[(2R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-3-(5-hydroxypent-1-ynyl)benzamide

N-[(2R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-3-(5-hydroxypent-1-ynyl)benzamide (PubChem CID 68887959) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-3-(5-hydroxypent-1-ynyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-3-(5-hydroxypent-1-ynyl)benzamide
PubChem CID68887959
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-[(2R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-3-(5-hydroxypent-1-ynyl)benzamide
SMILESC[C@H](c1c[nH]c2ccccc12)C(O)NC(=O)c1cccc(C#CCCCO)c1
InChIInChI=1S/C23H24N2O3/c1-16(20-15-24-21-12-5-4-11-19(20)21)22(27)25-23(28)18-10-7-9-17(14-18)8-3-2-6-13-26/h4-5,7,9-12,14-16,22,24,26-27H,2,6,13H2,1H3,(H,25,28)/t16-,22?/m1/s1
InChIKeyGDIGWHLTRKXRFU-XESZBRCGSA-N
XLogP3.14
TPSA85.35 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-3-(3-hydroxyprop-1-ynyl)benzamide
CID 68883293
3-(4-hydroxybut-1-ynyl)-N-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]benzamide
CID 74428987
9-[3-[[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamoyl]phenyl]non-8-ynoic acid
CID 25207554
5-[3-[[(2R,3R)-3-hydroxybutan-2-yl]-methylamino]prop-1-ynyl]-N-[(2R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-2-propan-2-yloxybenzamide
CID 57454806
3-hept-1-ynyl-N-(1-hydroxypropan-2-yl)benzamide
CID 59260246
N-[(1R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-7-[4-(methylcarbamoylamino)but-1-ynyl]-2,3,4,5-tetrahydro-1-benzoxepine-9-carboxamide
CID 157397861
3-(3-hydroxyprop-1-ynyl)-N-(1-naphthalen-1-ylethyl)benzamide
CID 155963043
N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-5-(5-hydroxypent-1-ynyl)-2-propan-2-yloxybenzamide
CID 25205465
methyl 6-[3-[[(1R)-1-hydroxy-2-(1H-indol-3-yl)ethyl]-methylcarbamoyl]phenyl]hex-5-ynoate
CID 68883726
N-[(2R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-5-iodo-2-propoxybenzamide
CID 69332033
3-[2-[3-[1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-4-propan-2-yloxyphenyl]ethynyl]-N-(3-hydroxypropyl)benzamide;methanamine
CID 143691009
N-[(1R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-5-iodo-2-propan-2-yloxybenzamide
CID 68884823

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-3-(5-hydroxypent-1-ynyl)benzamide?
The IUPAC name of N-[(2R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-3-(5-hydroxypent-1-ynyl)benzamide (CID 68887959) is N-[(2R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-3-(5-hydroxypent-1-ynyl)benzamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-3-(5-hydroxypent-1-ynyl)benzamide?
The canonical SMILES for N-[(2R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-3-(5-hydroxypent-1-ynyl)benzamide is C[C@H](c1c[nH]c2ccccc12)C(O)NC(=O)c1cccc(C#CCCCO)c1.
What is the InChIKey of N-[(2R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-3-(5-hydroxypent-1-ynyl)benzamide?
The InChIKey is GDIGWHLTRKXRFU-XESZBRCGSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-16(20-15-24-21-12-5-4-11-19(20)21)22(27)25-23(28)18-10-7-9-17(14-18)8-3-2-6-13-26/h4-5,7,9-12,14-16,22,24,26-27H,2,6,13H2,1H3,(H,25,28)/t16-,22?/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-3-(5-hydroxypent-1-ynyl)benzamide?
N-[(2R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-3-(5-hydroxypent-1-ynyl)benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.14, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-2-(1H-indol-3-yl)propyl]-3-(5-hydroxypent-1-ynyl)benzamide is sourced from PubChem (CID 68887959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).