(2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C19H28N4O2 — CID 51925651

IUPAC(2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCc1ccccc1OCCN(C)[C@H](C)C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C19H28N4O2/c1-14(2)23-18(10-11-20-23)21-19(24)16(4)22(5)12-13-25-17-9-7-6-8-15(17)3/h6-11,14,16H,12-13H2,1-5H3,(H,21,24)/t16-/m1/s1
InChIKeyMMOBEQWFTSBPNU-MRXNPFEDSA-N
MW344.46 g/mol
LogP3.11
Rot. Bonds8

About (2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

(2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 51925651) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID51925651
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCc1ccccc1OCCN(C)[C@H](C)C(=O)Nc1ccnn1C(C)C
InChIInChI=1S/C19H28N4O2/c1-14(2)23-18(10-11-20-23)21-19(24)16(4)22(5)12-13-25-17-9-7-6-8-15(17)3/h6-11,14,16H,12-13H2,1-5H3,(H,21,24)/t16-/m1/s1
InChIKeyMMOBEQWFTSBPNU-MRXNPFEDSA-N
XLogP3.11
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-tert-butyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 92514457
(2S)-N-benzyl-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 27123609
N-(2,5-dimethoxyphenyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 46630124
3-(2-methoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 78772438
N-(tert-butylcarbamoyl)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanamide
CID 51245206
N-(2-butan-2-ylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide
CID 134022419
N-(2-chlorophenyl)-2-[methyl-[3-(2-methylphenoxy)propyl]amino]propanamide
CID 55869495
2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-(4-morpholin-4-ylphenyl)propanamide
CID 55869108
2-(2-ethoxyphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 78772434
2-(2-benzylphenoxy)-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 30183419
(2S)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 31374774
2-[2-[methyl-[2-(2-methylphenoxy)ethyl]amino]propanoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 24507574

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of (2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 51925651) is (2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide is Cc1ccccc1OCCN(C)[C@H](C)C(=O)Nc1ccnn1C(C)C.
What is the InChIKey of (2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is MMOBEQWFTSBPNU-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-14(2)23-18(10-11-20-23)21-19(24)16(4)22(5)12-13-25-17-9-7-6-8-15(17)3/h6-11,14,16H,12-13H2,1-5H3,(H,21,24)/t16-/m1/s1.
What are the key properties of (2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
(2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 344.46 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 51925651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).