(2R)-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

C22H32N4O3 — CID 92596397

IUPAC(2R)-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(C[C@@H](C)C(=O)Nc2ccc(OCCN3CCOCC3)cc2)c(C)c1C
InChIInChI=1S/C22H32N4O3/c1-16(15-26-19(4)17(2)18(3)24-26)22(27)23-20-5-7-21(8-6-20)29-14-11-25-9-12-28-13-10-25/h5-8,16H,9-15H2,1-4H3,(H,23,27)/t16-/m1/s1
InChIKeyQGUOVIVGBVXWMP-MRXNPFEDSA-N
MW400.52 g/mol
LogP2.79
Rot. Bonds8

About (2R)-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide

(2R)-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (PubChem CID 92596397) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is (2R)-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
PubChem CID92596397
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC Name(2R)-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
SMILESCc1nn(C[C@@H](C)C(=O)Nc2ccc(OCCN3CCOCC3)cc2)c(C)c1C
InChIInChI=1S/C22H32N4O3/c1-16(15-26-19(4)17(2)18(3)24-26)22(27)23-20-5-7-21(8-6-20)29-14-11-25-9-12-28-13-10-25/h5-8,16H,9-15H2,1-4H3,(H,23,27)/t16-/m1/s1
InChIKeyQGUOVIVGBVXWMP-MRXNPFEDSA-N
XLogP2.79
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]imidazole-4-carboxamide
CID 167930461
2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 71993662
4-[2-(4-methylphenoxy)ethyl]morpholine;oxalic acid
CID 44827969
(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 119903586
N-[4-(2-morpholin-4-ylethoxy)phenyl]-2-(oxetan-3-yl)acetamide
CID 167978203
(2S)-2-methyl-N-pyridin-2-yl-3-(3,4,5-trimethylpyrazol-1-yl)propanamide
CID 40793254
2-morpholin-4-ylethyl N-(4-octoxyphenyl)carbamate
CID 3087060
2-ethoxy-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]butanamide
CID 133246288
1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43503698
(2S)-3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)-2-methylpropanamide
CID 42588525
methane;4-[2-(4-methylphenoxy)ethyl]morpholine
CID 162149342
N-[4-(2-morpholin-4-ylethoxy)phenyl]methanethioamide
CID 142830576

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The IUPAC name of (2R)-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide (CID 92596397) is (2R)-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide.
What is the SMILES notation for (2R)-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The canonical SMILES for (2R)-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is Cc1nn(C[C@@H](C)C(=O)Nc2ccc(OCCN3CCOCC3)cc2)c(C)c1C.
What is the InChIKey of (2R)-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
The InChIKey is QGUOVIVGBVXWMP-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-16(15-26-19(4)17(2)18(3)24-26)22(27)23-20-5-7-21(8-6-20)29-14-11-25-9-12-28-13-10-25/h5-8,16H,9-15H2,1-4H3,(H,23,27)/t16-/m1/s1.
What are the key properties of (2R)-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide?
(2R)-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide has a molecular weight of 400.52 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-N-[4-(2-morpholin-4-ylethoxy)phenyl]-3-(3,4,5-trimethylpyrazol-1-yl)propanamide is sourced from PubChem (CID 92596397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).