N-[(7S)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-3-ethoxybenzamide

C18H22N4O3 — CID 97346880

IUPACN-[(7S)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)N[C@H]2CCCc3cn(CC(N)=O)nc32)c1
InChIInChI=1S/C18H22N4O3/c1-2-25-14-7-3-5-12(9-14)18(24)20-15-8-4-6-13-10-22(11-16(19)23)21-17(13)15/h3,5,7,9-10,15H,2,4,6,8,11H2,1H3,(H2,19,23)(H,20,24)/t15-/m0/s1
InChIKeyUIGVYAPXVVEOIO-HNNXBMFYSA-N
MW342.40 g/mol
LogP1.57
Rot. Bonds6

About N-[(7S)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-3-ethoxybenzamide

N-[(7S)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-3-ethoxybenzamide (PubChem CID 97346880) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[(7S)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-3-ethoxybenzamide.

Molecular Properties

Compound NameN-[(7S)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-3-ethoxybenzamide
PubChem CID97346880
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-[(7S)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)N[C@H]2CCCc3cn(CC(N)=O)nc32)c1
InChIInChI=1S/C18H22N4O3/c1-2-25-14-7-3-5-12(9-14)18(24)20-15-8-4-6-13-10-22(11-16(19)23)21-17(13)15/h3,5,7,9-10,15H,2,4,6,8,11H2,1H3,(H2,19,23)(H,20,24)/t15-/m0/s1
InChIKeyUIGVYAPXVVEOIO-HNNXBMFYSA-N
XLogP1.57
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(7R)-7-[(3-propan-2-yloxyphenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide
CID 97346729
2-[(7S)-7-[(4-methylphenyl)carbamoylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide
CID 97346708
2-(dimethylamino)-N-[(7R)-2-(2,2,2-trifluoroethyl)-4,5,6,7-tetrahydroindazol-7-yl]pyridine-4-carboxamide
CID 97346977
2-(3-chloro-2-ethoxyphenyl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide
CID 139008177
3-phenoxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4842813
2-[7-[(3-fluorophenyl)methylamino]-4,5,6,7-tetrahydroindazol-2-yl]-N,N-dimethylacetamide
CID 75475565
3-ethoxy-N-[3-[(3-ethoxybenzoyl)amino]propyl]benzamide
CID 4958099
[2-(aminomethyl)cyclopentyl]-(3-ethoxyphenyl)methanone
CID 116584431
3-ethoxy-N-[2-[(3-ethoxybenzoyl)amino]ethyl]benzamide
CID 4958095
2-[4-[(3-ethoxyphenyl)methylamino]pyrazol-1-yl]acetamide
CID 60873892
N-cyclohexyl-3-propoxybenzamide
CID 4960053
3-[(2-chlorophenyl)methoxy]-N-[(1S)-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 100749910

Frequently Asked Questions

What is the IUPAC name of N-[(7S)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-3-ethoxybenzamide?
The IUPAC name of N-[(7S)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-3-ethoxybenzamide (CID 97346880) is N-[(7S)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-3-ethoxybenzamide.
What is the SMILES notation for N-[(7S)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-3-ethoxybenzamide?
The canonical SMILES for N-[(7S)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-3-ethoxybenzamide is CCOc1cccc(C(=O)N[C@H]2CCCc3cn(CC(N)=O)nc32)c1.
What is the InChIKey of N-[(7S)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-3-ethoxybenzamide?
The InChIKey is UIGVYAPXVVEOIO-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-2-25-14-7-3-5-12(9-14)18(24)20-15-8-4-6-13-10-22(11-16(19)23)21-17(13)15/h3,5,7,9-10,15H,2,4,6,8,11H2,1H3,(H2,19,23)(H,20,24)/t15-/m0/s1.
What are the key properties of N-[(7S)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-3-ethoxybenzamide?
N-[(7S)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-3-ethoxybenzamide has a molecular weight of 342.40 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-3-ethoxybenzamide is sourced from PubChem (CID 97346880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).