N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-3-(1-methylpyrazol-3-yl)propanamide

C20H28N4O3 — CID 126800410

IUPACN-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-3-(1-methylpyrazol-3-yl)propanamide
SMILESCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)CCc1ccn(C)n1
InChIInChI=1S/C20H28N4O3/c1-20(2)14-24(11-12-27-20)16-6-7-17(18(13-16)26-4)21-19(25)8-5-15-9-10-23(3)22-15/h6-7,9-10,13H,5,8,11-12,14H2,1-4H3,(H,21,25)
InChIKeyMTXXBZFXOLTVSF-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.62
Rot. Bonds6

About N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-3-(1-methylpyrazol-3-yl)propanamide

N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-3-(1-methylpyrazol-3-yl)propanamide (PubChem CID 126800410) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-3-(1-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-3-(1-methylpyrazol-3-yl)propanamide
PubChem CID126800410
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-3-(1-methylpyrazol-3-yl)propanamide
SMILESCOc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)CCc1ccn(C)n1
InChIInChI=1S/C20H28N4O3/c1-20(2)14-24(11-12-27-20)16-6-7-17(18(13-16)26-4)21-19(25)8-5-15-9-10-23(3)22-15/h6-7,9-10,13H,5,8,11-12,14H2,1-4H3,(H,21,25)
InChIKeyMTXXBZFXOLTVSF-UHFFFAOYSA-N
XLogP2.62
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-[(2S)-1-methoxypropan-2-yl]aniline
CID 99714151
N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-2,6-dimethyloxan-4-amine
CID 75440090
4-(2,2-dimethylmorpholin-4-yl)-2-methoxy-N-(1-pyrazol-1-ylpropan-2-yl)aniline
CID 86796350
2-methoxy-N-(2-methoxy-4-pyrrolidin-1-ylphenyl)acetamide
CID 168512322
N-(2-methoxy-5-morpholin-4-ylphenyl)pentanamide
CID 110359739
N-(2,4-dimethoxyphenyl)-3-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propanamide
CID 91839507
N-[4-(9-amino-7,10,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-7-yl)-2-methoxyphenyl]-2-(1-methylpyrazol-3-yl)acetamide
CID 121265686
N-(2,4-dimethoxyphenyl)-3-morpholin-4-ylpropanamide
CID 772656
3-[4-(2,2-dimethylmorpholin-4-yl)-6-oxopyridazin-1-yl]propanoic acid
CID 114394127
4-(2,2-dimethylmorpholin-4-yl)pyridine-2-carboxamide
CID 133313842
2-amino-5-(2,2-dimethylmorpholin-4-yl)benzamide
CID 55133406
N-[2-methoxy-4-[2-(1-methylimidazol-2-yl)imidazol-1-yl]phenyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-3-(1-methylpyrazol-3-yl)propanamide?
The IUPAC name of N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-3-(1-methylpyrazol-3-yl)propanamide (CID 126800410) is N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-3-(1-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-3-(1-methylpyrazol-3-yl)propanamide?
The canonical SMILES for N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-3-(1-methylpyrazol-3-yl)propanamide is COc1cc(N2CCOC(C)(C)C2)ccc1NC(=O)CCc1ccn(C)n1.
What is the InChIKey of N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-3-(1-methylpyrazol-3-yl)propanamide?
The InChIKey is MTXXBZFXOLTVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-20(2)14-24(11-12-27-20)16-6-7-17(18(13-16)26-4)21-19(25)8-5-15-9-10-23(3)22-15/h6-7,9-10,13H,5,8,11-12,14H2,1-4H3,(H,21,25).
What are the key properties of N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-3-(1-methylpyrazol-3-yl)propanamide?
N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-3-(1-methylpyrazol-3-yl)propanamide has a molecular weight of 372.47 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2-dimethylmorpholin-4-yl)-2-methoxyphenyl]-3-(1-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 126800410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).