N-[3-[2-oxo-2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethoxy]phenyl]propanamide

C21H30N4O3 — CID 50959754

IUPACN-[3-[2-oxo-2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethoxy]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(OCC(=O)N(Cc2c(C)nn(C)c2C)C(C)C)c1
InChIInChI=1S/C21H30N4O3/c1-7-20(26)22-17-9-8-10-18(11-17)28-13-21(27)25(14(2)3)12-19-15(4)23-24(6)16(19)5/h8-11,14H,7,12-13H2,1-6H3,(H,22,26)
InChIKeyFSDZROVWTNRBER-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.20
Rot. Bonds8

About N-[3-[2-oxo-2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethoxy]phenyl]propanamide

N-[3-[2-oxo-2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethoxy]phenyl]propanamide (PubChem CID 50959754) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[3-[2-oxo-2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethoxy]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[2-oxo-2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethoxy]phenyl]propanamide
PubChem CID50959754
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC NameN-[3-[2-oxo-2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethoxy]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(OCC(=O)N(Cc2c(C)nn(C)c2C)C(C)C)c1
InChIInChI=1S/C21H30N4O3/c1-7-20(26)22-17-9-8-10-18(11-17)28-13-21(27)25(14(2)3)12-19-15(4)23-24(6)16(19)5/h8-11,14H,7,12-13H2,1-6H3,(H,22,26)
InChIKeyFSDZROVWTNRBER-UHFFFAOYSA-N
XLogP3.20
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-[2-oxo-2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethoxy]phenyl]propanamide with MolForge

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Related Compounds

1-(3-prop-2-ynoxyphenyl)-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 71992274
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 8594523
N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
N-[3-[2-(1-hydroxybutan-2-ylamino)-2-oxoethoxy]phenyl]propanamide
CID 50967022
N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide
CID 18870253
2-phenoxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide
CID 959425
(3,5-dimethylphenyl) 2-[3-(propanoylamino)phenoxy]acetate
CID 18870324
2-(3-acetamidophenoxy)-N,N-diethylacetamide
CID 7698145
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 43350860
1-[3-(difluoromethyl)phenyl]-3-[(2R)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 97318672
N-propan-2-yl-4-pyridin-2-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 119070990
N-[3-[2-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethylamino]-2-oxoethoxy]phenyl]propanamide
CID 50958554

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-oxo-2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethoxy]phenyl]propanamide?
The IUPAC name of N-[3-[2-oxo-2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethoxy]phenyl]propanamide (CID 50959754) is N-[3-[2-oxo-2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethoxy]phenyl]propanamide.
What is the SMILES notation for N-[3-[2-oxo-2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethoxy]phenyl]propanamide?
The canonical SMILES for N-[3-[2-oxo-2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethoxy]phenyl]propanamide is CCC(=O)Nc1cccc(OCC(=O)N(Cc2c(C)nn(C)c2C)C(C)C)c1.
What is the InChIKey of N-[3-[2-oxo-2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethoxy]phenyl]propanamide?
The InChIKey is FSDZROVWTNRBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-7-20(26)22-17-9-8-10-18(11-17)28-13-21(27)25(14(2)3)12-19-15(4)23-24(6)16(19)5/h8-11,14H,7,12-13H2,1-6H3,(H,22,26).
What are the key properties of N-[3-[2-oxo-2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethoxy]phenyl]propanamide?
N-[3-[2-oxo-2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethoxy]phenyl]propanamide has a molecular weight of 386.50 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-oxo-2-[propan-2-yl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]ethoxy]phenyl]propanamide is sourced from PubChem (CID 50959754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).