2-[[(1S)-2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]amino]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide

C20H30N4O2 — CID 97307325

IUPAC2-[[(1S)-2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]amino]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
SMILESCC(C)Cc1ccc([C@H](C)NC(=O)CN[C@H](CO)c2cnn(C)c2)cc1
InChIInChI=1S/C20H30N4O2/c1-14(2)9-16-5-7-17(8-6-16)15(3)23-20(26)11-21-19(13-25)18-10-22-24(4)12-18/h5-8,10,12,14-15,19,21,25H,9,11,13H2,1-4H3,(H,23,26)/t15-,19+/m0/s1
InChIKeyYZKUQQNPDLRWPO-HNAYVOBHSA-N
MW358.49 g/mol
LogP2.12
Rot. Bonds9

About 2-[[(1S)-2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]amino]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide

2-[[(1S)-2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]amino]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide (PubChem CID 97307325) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-[[(1S)-2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]amino]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-[[(1S)-2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]amino]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
PubChem CID97307325
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name2-[[(1S)-2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]amino]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
SMILESCC(C)Cc1ccc([C@H](C)NC(=O)CN[C@H](CO)c2cnn(C)c2)cc1
InChIInChI=1S/C20H30N4O2/c1-14(2)9-16-5-7-17(8-6-16)15(3)23-20(26)11-21-19(13-25)18-10-22-24(4)12-18/h5-8,10,12,14-15,19,21,25H,9,11,13H2,1-4H3,(H,23,26)/t15-,19+/m0/s1
InChIKeyYZKUQQNPDLRWPO-HNAYVOBHSA-N
XLogP2.12
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[4-(2-methylpropyl)phenyl]ethyl]-3-pyrazol-1-ylpropanamide
CID 86979952
2-(1-methylimidazol-2-yl)sulfanyl-N-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 40529496
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 97347944
3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 45147216
2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 110470530
2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 115888089
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 51319810
N-[1-[4-(2-methylpropyl)phenyl]ethyl]pyrazine-2-carboxamide
CID 42997249
2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 7427013
N-tert-butyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
CID 78913238
N-cyclopropyl-2-[1-[4-(2-methylpropyl)phenyl]ethylamino]acetamide
CID 43398065
2-[4-(2-methylpropyl)phenyl]-N-(1-phenylethyl)acetamide
CID 86249193

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]amino]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-[[(1S)-2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]amino]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide (CID 97307325) is 2-[[(1S)-2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]amino]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-[[(1S)-2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]amino]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-[[(1S)-2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]amino]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide is CC(C)Cc1ccc([C@H](C)NC(=O)CN[C@H](CO)c2cnn(C)c2)cc1.
What is the InChIKey of 2-[[(1S)-2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]amino]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
The InChIKey is YZKUQQNPDLRWPO-HNAYVOBHSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-14(2)9-16-5-7-17(8-6-16)15(3)23-20(26)11-21-19(13-25)18-10-22-24(4)12-18/h5-8,10,12,14-15,19,21,25H,9,11,13H2,1-4H3,(H,23,26)/t15-,19+/m0/s1.
What are the key properties of 2-[[(1S)-2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]amino]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide?
2-[[(1S)-2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]amino]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide has a molecular weight of 358.49 g/mol, XLogP of 2.12, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]amino]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 97307325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).