N-(2-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)butanamide

C18H24N4O2 — CID 75497138

IUPACN-(2-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)butanamide
SMILESCOc1ccccc1NC(=O)CC(C)NC1CCc2[nH]ncc2C1
InChIInChI=1S/C18H24N4O2/c1-12(20-14-7-8-15-13(10-14)11-19-22-15)9-18(23)21-16-5-3-4-6-17(16)24-2/h3-6,11-12,14,20H,7-10H2,1-2H3,(H,19,22)(H,21,23)
InChIKeyOOASYWNWXNEAEF-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.28
Rot. Bonds6

About N-(2-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)butanamide

N-(2-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)butanamide (PubChem CID 75497138) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)butanamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)butanamide
PubChem CID75497138
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(2-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)butanamide
SMILESCOc1ccccc1NC(=O)CC(C)NC1CCc2[nH]ncc2C1
InChIInChI=1S/C18H24N4O2/c1-12(20-14-7-8-15-13(10-14)11-19-22-15)9-18(23)21-16-5-3-4-6-17(16)24-2/h3-6,11-12,14,20H,7-10H2,1-2H3,(H,19,22)(H,21,23)
InChIKeyOOASYWNWXNEAEF-UHFFFAOYSA-N
XLogP2.28
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(2-methoxyphenyl)-3-[[(1R,5S,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]butanamide
CID 129446078
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
(3S)-N-(2-methoxyphenyl)-3-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]butanamide
CID 97102461
[(2S)-4-(2-methoxyanilino)-4-oxobutan-2-yl]-methylazanium
CID 9396224
(3R)-3-[[(1S)-2-hydroxy-1-phenylethyl]amino]-N-(2-methoxyphenyl)butanamide
CID 97232185
2-[(2-chlorophenyl)methoxy]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide
CID 126783698
1-(2-methoxy-5-methyl-3-pyridinyl)-3-[(5R)-4,5,6,7-tetrahydro-1H-indazol-5-yl]urea
CID 97327551
3-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-N-(2-methoxyphenyl)butanamide
CID 110901250
N-(2-methoxyphenyl)-N'-(2-propan-2-yloxyphenyl)propanediamide
CID 108955532
(3S)-3-[[(3R)-1,1-dioxothiolan-3-yl]amino]-N-(2-propan-2-ylphenyl)butanamide
CID 39965936
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879
2-(butan-2-ylamino)-N-(2-methoxyphenyl)acetamide
CID 43179381

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)butanamide?
The IUPAC name of N-(2-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)butanamide (CID 75497138) is N-(2-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)butanamide.
What is the SMILES notation for N-(2-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)butanamide?
The canonical SMILES for N-(2-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)butanamide is COc1ccccc1NC(=O)CC(C)NC1CCc2[nH]ncc2C1.
What is the InChIKey of N-(2-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)butanamide?
The InChIKey is OOASYWNWXNEAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-12(20-14-7-8-15-13(10-14)11-19-22-15)9-18(23)21-16-5-3-4-6-17(16)24-2/h3-6,11-12,14,20H,7-10H2,1-2H3,(H,19,22)(H,21,23).
What are the key properties of N-(2-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)butanamide?
N-(2-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)butanamide has a molecular weight of 328.42 g/mol, XLogP of 2.28, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-3-(4,5,6,7-tetrahydro-1H-indazol-5-ylamino)butanamide is sourced from PubChem (CID 75497138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).