N-(2,5-dimethylphenyl)-3-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]propanamide

C19H28N4O — CID 95144263

IUPACN-(2,5-dimethylphenyl)-3-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]propanamide
SMILESCc1ccc(C)c(NC(=O)CCN[C@H](C)Cn2nc(C)cc2C)c1
InChIInChI=1S/C19H28N4O/c1-13-6-7-14(2)18(10-13)21-19(24)8-9-20-16(4)12-23-17(5)11-15(3)22-23/h6-7,10-11,16,20H,8-9,12H2,1-5H3,(H,21,24)/t16-/m1/s1
InChIKeyFSIKCGYTUHUSDT-MRXNPFEDSA-N
MW328.46 g/mol
LogP3.12
Rot. Bonds7

About N-(2,5-dimethylphenyl)-3-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]propanamide

N-(2,5-dimethylphenyl)-3-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]propanamide (PubChem CID 95144263) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-3-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]propanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-3-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]propanamide
PubChem CID95144263
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-(2,5-dimethylphenyl)-3-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]propanamide
SMILESCc1ccc(C)c(NC(=O)CCN[C@H](C)Cn2nc(C)cc2C)c1
InChIInChI=1S/C19H28N4O/c1-13-6-7-14(2)18(10-13)21-19(24)8-9-20-16(4)12-23-17(5)11-15(3)22-23/h6-7,10-11,16,20H,8-9,12H2,1-5H3,(H,21,24)/t16-/m1/s1
InChIKeyFSIKCGYTUHUSDT-MRXNPFEDSA-N
XLogP3.12
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-3-[[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]propanamide
CID 95144262
(3R)-N-(2,5-dimethylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693220
N-(5-amino-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)propanamide
CID 16786199
5-amino-N-(2,5-dimethylphenyl)-4-methylpentanamide
CID 82683861
N-(2,5-dimethylphenyl)-3-(3-methylbutylamino)propanamide
CID 109032011
N-(5-bromo-2-methylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 43806572
4-amino-N-(2,5-dimethylphenyl)pentanamide;hydrochloride
CID 120558604
N-(2,5-dimethylphenyl)-1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carboxamide
CID 19270525
3-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19553824
N-(2,5-dimethylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119669251
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
CID 166196436
3-(4-bromo-5-methylpyrazol-1-yl)-N-(2,5-dimethylphenyl)propanamide
CID 19570193

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-3-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]propanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-3-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]propanamide (CID 95144263) is N-(2,5-dimethylphenyl)-3-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]propanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-3-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]propanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-3-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]propanamide is Cc1ccc(C)c(NC(=O)CCN[C@H](C)Cn2nc(C)cc2C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-3-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]propanamide?
The InChIKey is FSIKCGYTUHUSDT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N4O/c1-13-6-7-14(2)18(10-13)21-19(24)8-9-20-16(4)12-23-17(5)11-15(3)22-23/h6-7,10-11,16,20H,8-9,12H2,1-5H3,(H,21,24)/t16-/m1/s1.
What are the key properties of N-(2,5-dimethylphenyl)-3-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]propanamide?
N-(2,5-dimethylphenyl)-3-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]propanamide has a molecular weight of 328.46 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-3-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]propanamide is sourced from PubChem (CID 95144263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).