3-amino-3-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide

C18H26N4O3 — CID 122566168

IUPAC3-amino-3-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide
SMILESCCn1cc(CNC(=O)CC(N)c2ccc(OC)c(OC)c2)c(C)n1
InChIInChI=1S/C18H26N4O3/c1-5-22-11-14(12(2)21-22)10-20-18(23)9-15(19)13-6-7-16(24-3)17(8-13)25-4/h6-8,11,15H,5,9-10,19H2,1-4H3,(H,20,23)
InChIKeyDXMIHKYAIWZQGR-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.93
Rot. Bonds8

About 3-amino-3-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide

3-amino-3-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide (PubChem CID 122566168) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 3-amino-3-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-amino-3-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide
PubChem CID122566168
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name3-amino-3-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide
SMILESCCn1cc(CNC(=O)CC(N)c2ccc(OC)c(OC)c2)c(C)n1
InChIInChI=1S/C18H26N4O3/c1-5-22-11-14(12(2)21-22)10-20-18(23)9-15(19)13-6-7-16(24-3)17(8-13)25-4/h6-8,11,15H,5,9-10,19H2,1-4H3,(H,20,23)
InChIKeyDXMIHKYAIWZQGR-UHFFFAOYSA-N
XLogP1.93
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-3-(3,4-dimethoxyphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)propanamide
CID 91832531
3-amino-3-(3,4-dimethoxyphenyl)-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]propanamide;dihydrochloride
CID 154910813
bis(methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate);bis(methyl (3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoate)
CID 157337826
(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
CID 670404
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-methoxybenzamide
CID 19288632
3-amino-N-[(3,4-dimethoxyphenyl)methyl]-3-phenylpropanamide;hydrochloride
CID 119948750
3-amino-N-[(2-methoxyphenyl)methyl]-3-phenylpropanamide
CID 24698834
3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 170875743
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-6,7-dimethoxy-1-methylisoquinolin-3-amine
CID 155810425
2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]acetamide
CID 19516533
3-amino-3-(4-methoxy-3-methylphenyl)propanehydrazide
CID 116848729
1-(3,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanamine
CID 62351977

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-amino-3-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide (CID 122566168) is 3-amino-3-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-amino-3-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-amino-3-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide is CCn1cc(CNC(=O)CC(N)c2ccc(OC)c(OC)c2)c(C)n1.
What is the InChIKey of 3-amino-3-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide?
The InChIKey is DXMIHKYAIWZQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-5-22-11-14(12(2)21-22)10-20-18(23)9-15(19)13-6-7-16(24-3)17(8-13)25-4/h6-8,11,15H,5,9-10,19H2,1-4H3,(H,20,23).
What are the key properties of 3-amino-3-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide?
3-amino-3-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide has a molecular weight of 346.43 g/mol, XLogP of 1.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(3,4-dimethoxyphenyl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 122566168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).