4-[hydroxy(oxido)amino]-N-[1-(1H-indol-3-yl)propan-2-yl]benzamide

C18H18N3O3- — CID 163142785

IUPAC4-[hydroxy(oxido)amino]-N-[1-(1H-indol-3-yl)propan-2-yl]benzamide
SMILESCC(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(N([O-])O)cc1
InChIInChI=1S/C18H18N3O3/c1-12(10-14-11-19-17-5-3-2-4-16(14)17)20-18(22)13-6-8-15(9-7-13)21(23)24/h2-9,11-12,19,23H,10H2,1H3,(H,20,22)/q-1
InChIKeyYNALGFNWCIMVKV-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.22
Rot. Bonds5

About 4-[hydroxy(oxido)amino]-N-[1-(1H-indol-3-yl)propan-2-yl]benzamide

4-[hydroxy(oxido)amino]-N-[1-(1H-indol-3-yl)propan-2-yl]benzamide (PubChem CID 163142785) has the molecular formula C18H18N3O3- and a molecular weight of 324.36 g/mol. Its IUPAC name is 4-[hydroxy(oxido)amino]-N-[1-(1H-indol-3-yl)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-[hydroxy(oxido)amino]-N-[1-(1H-indol-3-yl)propan-2-yl]benzamide
PubChem CID163142785
Molecular FormulaC18H18N3O3-
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name4-[hydroxy(oxido)amino]-N-[1-(1H-indol-3-yl)propan-2-yl]benzamide
SMILESCC(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(N([O-])O)cc1
InChIInChI=1S/C18H18N3O3/c1-12(10-14-11-19-17-5-3-2-4-16(14)17)20-18(22)13-6-8-15(9-7-13)21(23)24/h2-9,11-12,19,23H,10H2,1H3,(H,20,22)/q-1
InChIKeyYNALGFNWCIMVKV-UHFFFAOYSA-N
XLogP3.22
TPSA91.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1H-indol-3-yl)propan-2-yl]-4-nitrobenzamide
CID 2827451
N-[1-(1H-indol-3-yl)propan-2-yl]pyridine-4-carboxamide
CID 3677874
N-[1-(1H-indol-3-yl)-3-oxobutan-2-yl]benzamide
CID 59929836
2-amino-N-[1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 582689
[2-[[(2S)-1-(1H-indol-3-yl)propan-2-yl]amino]-2-oxoethyl]azanium
CID 6929476
N-[1-(1H-indol-3-yl)propan-2-yl]butanamide
CID 5022905
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 1162947
3-ethoxy-N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]benzamide
CID 59897088
(E)-4-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]-4-oxobut-2-enoate
CID 6998653
N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]-2-methoxyacetamide
CID 53348431
2,2-difluoro-N-[1-(1H-indol-3-yl)propan-2-yl]propanamide
CID 138693223
(2R)-2-[(4-tert-butylbenzoyl)amino]-3-(1H-indol-3-yl)propanoic acid
CID 7303855

Frequently Asked Questions

What is the IUPAC name of 4-[hydroxy(oxido)amino]-N-[1-(1H-indol-3-yl)propan-2-yl]benzamide?
The IUPAC name of 4-[hydroxy(oxido)amino]-N-[1-(1H-indol-3-yl)propan-2-yl]benzamide (CID 163142785) is 4-[hydroxy(oxido)amino]-N-[1-(1H-indol-3-yl)propan-2-yl]benzamide.
What is the SMILES notation for 4-[hydroxy(oxido)amino]-N-[1-(1H-indol-3-yl)propan-2-yl]benzamide?
The canonical SMILES for 4-[hydroxy(oxido)amino]-N-[1-(1H-indol-3-yl)propan-2-yl]benzamide is CC(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(N([O-])O)cc1.
What is the InChIKey of 4-[hydroxy(oxido)amino]-N-[1-(1H-indol-3-yl)propan-2-yl]benzamide?
The InChIKey is YNALGFNWCIMVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N3O3/c1-12(10-14-11-19-17-5-3-2-4-16(14)17)20-18(22)13-6-8-15(9-7-13)21(23)24/h2-9,11-12,19,23H,10H2,1H3,(H,20,22)/q-1.
What are the key properties of 4-[hydroxy(oxido)amino]-N-[1-(1H-indol-3-yl)propan-2-yl]benzamide?
4-[hydroxy(oxido)amino]-N-[1-(1H-indol-3-yl)propan-2-yl]benzamide has a molecular weight of 324.36 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[hydroxy(oxido)amino]-N-[1-(1H-indol-3-yl)propan-2-yl]benzamide is sourced from PubChem (CID 163142785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).