N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide

C19H27N3O3 — CID 51088187

IUPACN-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCOc1cc(C(C)NC(=O)Cn2cc(C)cn2)ccc1OCC(C)C
InChIInChI=1S/C19H27N3O3/c1-13(2)12-25-17-7-6-16(8-18(17)24-5)15(4)21-19(23)11-22-10-14(3)9-20-22/h6-10,13,15H,11-12H2,1-5H3,(H,21,23)
InChIKeyCHFMCAFRLMBGQP-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.11
Rot. Bonds8

About N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide

N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide (PubChem CID 51088187) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide
PubChem CID51088187
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide
SMILESCOc1cc(C(C)NC(=O)Cn2cc(C)cn2)ccc1OCC(C)C
InChIInChI=1S/C19H27N3O3/c1-13(2)12-25-17-7-6-16(8-18(17)24-5)15(4)21-19(23)11-22-10-14(3)9-20-22/h6-10,13,15H,11-12H2,1-5H3,(H,21,23)
InChIKeyCHFMCAFRLMBGQP-UHFFFAOYSA-N
XLogP3.11
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119732105
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 94200377
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide
CID 119294135
2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 51940488
2-(4-aminophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 119732092
2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 55637736
2-(4-acetamidophenyl)-N-[(1S)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 51940486
2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 46415294
1-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-4-carboxamide
CID 46414979
(2S)-2-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-3,3-dimethylbutanamide
CID 119732110
2,4-dichloro-N-[2-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
CID 46415115
N-[4-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-4-oxobutyl]benzamide
CID 42958527

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide (CID 51088187) is N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide is COc1cc(C(C)NC(=O)Cn2cc(C)cn2)ccc1OCC(C)C.
What is the InChIKey of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide?
The InChIKey is CHFMCAFRLMBGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-13(2)12-25-17-7-6-16(8-18(17)24-5)15(4)21-19(23)11-22-10-14(3)9-20-22/h6-10,13,15H,11-12H2,1-5H3,(H,21,23).
What are the key properties of N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide?
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide has a molecular weight of 345.44 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(4-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 51088187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).