N-(1-cyclopropyl-3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide

C17H22N2O3 — CID 110007760

IUPACN-(1-cyclopropyl-3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1cccc2[nH]cc(CC(=O)NC(CCO)C3CC3)c12
InChIInChI=1S/C17H22N2O3/c1-22-15-4-2-3-14-17(15)12(10-18-14)9-16(21)19-13(7-8-20)11-5-6-11/h2-4,10-11,13,18,20H,5-9H2,1H3,(H,19,21)
InChIKeyDUGULYRNUGZGSU-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.00
Rot. Bonds7

About N-(1-cyclopropyl-3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide

N-(1-cyclopropyl-3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide (PubChem CID 110007760) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(1-cyclopropyl-3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyclopropyl-3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
PubChem CID110007760
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(1-cyclopropyl-3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
SMILESCOc1cccc2[nH]cc(CC(=O)NC(CCO)C3CC3)c12
InChIInChI=1S/C17H22N2O3/c1-22-15-4-2-3-14-17(15)12(10-18-14)9-16(21)19-13(7-8-20)11-5-6-11/h2-4,10-11,13,18,20H,5-9H2,1H3,(H,19,21)
InChIKeyDUGULYRNUGZGSU-UHFFFAOYSA-N
XLogP2.00
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxy-4-methylpentan-3-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110007526
N-(1-hydroxypropan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005911
2-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]propanoic acid
CID 120523694
N-(1-hydroxybutan-2-yl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005854
N-(3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110005848
4-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylbutanoic acid
CID 120537179
3-[[2-(4-methoxy-1H-indol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 120525846
N-[(2S)-2-cyclopropyl-2-methoxyethyl]-2-(4-ethoxy-1H-indol-3-yl)acetamide
CID 125144179
N-[2-[4-(hydroxymethyl)phenyl]ethyl]-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110009904
2-hydroxy-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 110003288
N-(2-fluorophenyl)-2-(4-methoxy-1H-indol-3-yl)acetamide
CID 110858538
3-cyclopropyl-3-[(2-methoxyphenyl)methylamino]propan-1-ol
CID 111457432

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropyl-3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide?
The IUPAC name of N-(1-cyclopropyl-3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide (CID 110007760) is N-(1-cyclopropyl-3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-(1-cyclopropyl-3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide?
The canonical SMILES for N-(1-cyclopropyl-3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide is COc1cccc2[nH]cc(CC(=O)NC(CCO)C3CC3)c12.
What is the InChIKey of N-(1-cyclopropyl-3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide?
The InChIKey is DUGULYRNUGZGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-22-15-4-2-3-14-17(15)12(10-18-14)9-16(21)19-13(7-8-20)11-5-6-11/h2-4,10-11,13,18,20H,5-9H2,1H3,(H,19,21).
What are the key properties of N-(1-cyclopropyl-3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide?
N-(1-cyclopropyl-3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide has a molecular weight of 302.37 g/mol, XLogP of 2.00, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropyl-3-hydroxypropyl)-2-(4-methoxy-1H-indol-3-yl)acetamide is sourced from PubChem (CID 110007760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).