N-[3-[(1R)-1-[[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino]ethyl]phenyl]acetamide

C17H22N4O — CID 97103418

IUPACN-[3-[(1R)-1-[[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@@H](C)N[C@@H]2CCc3[nH]ncc3C2)c1
InChIInChI=1S/C17H22N4O/c1-11(13-4-3-5-15(8-13)20-12(2)22)19-16-6-7-17-14(9-16)10-18-21-17/h3-5,8,10-11,16,19H,6-7,9H2,1-2H3,(H,18,21)(H,20,22)/t11-,16-/m1/s1
InChIKeyIIGYYSXJRBUBAI-BDJLRTHQSA-N
MW298.39 g/mol
LogP2.58
Rot. Bonds4

About N-[3-[(1R)-1-[[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino]ethyl]phenyl]acetamide

N-[3-[(1R)-1-[[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino]ethyl]phenyl]acetamide (PubChem CID 97103418) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[3-[(1R)-1-[[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1R)-1-[[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino]ethyl]phenyl]acetamide
PubChem CID97103418
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[3-[(1R)-1-[[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@@H](C)N[C@@H]2CCc3[nH]ncc3C2)c1
InChIInChI=1S/C17H22N4O/c1-11(13-4-3-5-15(8-13)20-12(2)22)19-16-6-7-17-14(9-16)10-18-21-17/h3-5,8,10-11,16,19H,6-7,9H2,1-2H3,(H,18,21)(H,20,22)/t11-,16-/m1/s1
InChIKeyIIGYYSXJRBUBAI-BDJLRTHQSA-N
XLogP2.58
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-[(1R)-1-[[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino]ethyl]phenyl]acetamide with MolForge

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Related Compounds

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N-[3-[1-[(3-methylsulfanylcyclopentyl)amino]ethyl]phenyl]acetamide
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CID 81386672
N-[3-[1-[[(1S,2S)-2-hydroxycyclohexyl]amino]ethyl]phenyl]acetamide
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CID 103240431
N-[3-[1-[(2-hydroxycycloheptyl)amino]ethyl]phenyl]acetamide
CID 60980286
(5R)-N-[(1S)-1-(3-acetamidophenyl)ethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 37462538
N-(3-methoxybutan-2-yl)-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 115894209
N-[3-[1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]phenyl]acetamide
CID 43752163
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Frequently Asked Questions

What is the IUPAC name of N-[3-[(1R)-1-[[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[(1R)-1-[[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino]ethyl]phenyl]acetamide (CID 97103418) is N-[3-[(1R)-1-[[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(1R)-1-[[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(1R)-1-[[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc([C@@H](C)N[C@@H]2CCc3[nH]ncc3C2)c1.
What is the InChIKey of N-[3-[(1R)-1-[[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino]ethyl]phenyl]acetamide?
The InChIKey is IIGYYSXJRBUBAI-BDJLRTHQSA-N. The full InChI is InChI=1S/C17H22N4O/c1-11(13-4-3-5-15(8-13)20-12(2)22)19-16-6-7-17-14(9-16)10-18-21-17/h3-5,8,10-11,16,19H,6-7,9H2,1-2H3,(H,18,21)(H,20,22)/t11-,16-/m1/s1.
What are the key properties of N-[3-[(1R)-1-[[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino]ethyl]phenyl]acetamide?
N-[3-[(1R)-1-[[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino]ethyl]phenyl]acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1R)-1-[[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 97103418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).