(3S)-N-(2-ethylphenyl)-3-[[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]butanamide

C19H28N4O2 — CID 97232685

IUPAC(3S)-N-(2-ethylphenyl)-3-[[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]butanamide
SMILESCCc1ccccc1NC(=O)C[C@H](C)NC[C@](C)(O)c1cnn(C)c1
InChIInChI=1S/C19H28N4O2/c1-5-15-8-6-7-9-17(15)22-18(24)10-14(2)20-13-19(3,25)16-11-21-23(4)12-16/h6-9,11-12,14,20,25H,5,10,13H2,1-4H3,(H,22,24)/t14-,19-/m0/s1
InChIKeyOUFHWUPEANRFGN-LIRRHRJNSA-N
MW344.46 g/mol
LogP2.20
Rot. Bonds8

About (3S)-N-(2-ethylphenyl)-3-[[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]butanamide

(3S)-N-(2-ethylphenyl)-3-[[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]butanamide (PubChem CID 97232685) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is (3S)-N-(2-ethylphenyl)-3-[[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]butanamide.

Molecular Properties

Compound Name(3S)-N-(2-ethylphenyl)-3-[[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]butanamide
PubChem CID97232685
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name(3S)-N-(2-ethylphenyl)-3-[[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]butanamide
SMILESCCc1ccccc1NC(=O)C[C@H](C)NC[C@](C)(O)c1cnn(C)c1
InChIInChI=1S/C19H28N4O2/c1-5-15-8-6-7-9-17(15)22-18(24)10-14(2)20-13-19(3,25)16-11-21-23(4)12-16/h6-9,11-12,14,20,25H,5,10,13H2,1-4H3,(H,22,24)/t14-,19-/m0/s1
InChIKeyOUFHWUPEANRFGN-LIRRHRJNSA-N
XLogP2.20
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (3S)-N-(2-ethylphenyl)-3-[[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]butanamide with MolForge

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Related Compounds

3-(4-ethylphenyl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]butanamide
CID 111458533
1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-3-[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 97087851
1-[(2S)-1-(2-fluorophenyl)propan-2-yl]-3-[(2S)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]urea
CID 97087853
(2R)-1-[[(1S)-1-(2-fluorophenyl)propyl]amino]-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 99852141
(3R)-3-[(1-methylpyrazol-4-yl)amino]-N-[2-(trifluoromethyl)phenyl]butanamide
CID 99619216
2-(1-methylpyrazol-4-yl)-1-(1-naphthalen-2-ylethylamino)propan-2-ol
CID 111755740
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2-phenylmethoxypropanamide
CID 111458426
1-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-3-(2-phenylbutyl)urea
CID 111459062
N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]-2,2-dimethylpropanamide
CID 111458807
(3R)-N-(2-ethylphenyl)-3-(thiophen-2-ylmethylamino)butanamide
CID 97059465
2-butylsulfanyl-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]propanamide
CID 111458559
N-[2-(2-amino-2-oxoethyl)phenyl]-3-(ethylamino)butanamide
CID 62837196

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-ethylphenyl)-3-[[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]butanamide?
The IUPAC name of (3S)-N-(2-ethylphenyl)-3-[[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]butanamide (CID 97232685) is (3S)-N-(2-ethylphenyl)-3-[[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]butanamide.
What is the SMILES notation for (3S)-N-(2-ethylphenyl)-3-[[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]butanamide?
The canonical SMILES for (3S)-N-(2-ethylphenyl)-3-[[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]butanamide is CCc1ccccc1NC(=O)C[C@H](C)NC[C@](C)(O)c1cnn(C)c1.
What is the InChIKey of (3S)-N-(2-ethylphenyl)-3-[[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]butanamide?
The InChIKey is OUFHWUPEANRFGN-LIRRHRJNSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-5-15-8-6-7-9-17(15)22-18(24)10-14(2)20-13-19(3,25)16-11-21-23(4)12-16/h6-9,11-12,14,20,25H,5,10,13H2,1-4H3,(H,22,24)/t14-,19-/m0/s1.
What are the key properties of (3S)-N-(2-ethylphenyl)-3-[[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]butanamide?
(3S)-N-(2-ethylphenyl)-3-[[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]butanamide has a molecular weight of 344.46 g/mol, XLogP of 2.20, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-ethylphenyl)-3-[[(2R)-2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]amino]butanamide is sourced from PubChem (CID 97232685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).