(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide

C18H26N4O — CID 97131699

IUPAC(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide
SMILESCc1cccc([C@@H](C(=O)NCCCn2ccc(C)n2)N(C)C)c1
InChIInChI=1S/C18H26N4O/c1-14-7-5-8-16(13-14)17(21(3)4)18(23)19-10-6-11-22-12-9-15(2)20-22/h5,7-9,12-13,17H,6,10-11H2,1-4H3,(H,19,23)/t17-/m0/s1
InChIKeyMOMDYOLDISYRIS-KRWDZBQOSA-N
MW314.43 g/mol
LogP2.31
Rot. Bonds7

About (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide

(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide (PubChem CID 97131699) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide
PubChem CID97131699
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide
SMILESCc1cccc([C@@H](C(=O)NCCCn2ccc(C)n2)N(C)C)c1
InChIInChI=1S/C18H26N4O/c1-14-7-5-8-16(13-14)17(21(3)4)18(23)19-10-6-11-22-12-9-15(2)20-22/h5,7-9,12-13,17H,6,10-11H2,1-4H3,(H,19,23)/t17-/m0/s1
InChIKeyMOMDYOLDISYRIS-KRWDZBQOSA-N
XLogP2.31
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(3-methylphenyl)acetamide
CID 97206308
N-[2-[[2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-2-methylpropanamide
CID 72849089
(2R)-2-(dimethylamino)-N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 97117026
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-(3-pyridin-4-ylpropyl)acetamide
CID 97193939
(2R)-2-(dimethylamino)-2-(4-methylphenyl)-N-[3-(1,2,4-triazol-1-yl)propyl]acetamide
CID 97136296
(2R)-2-(dimethylamino)-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 95130797
2-(dimethylamino)-2-(3-methylphenyl)-N-[2-[(4-methyl-2-pyridinyl)amino]ethyl]acetamide
CID 72858955
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-(dimethylamino)-2-(3-methylphenyl)acetamide
CID 50973098
2-(dimethylamino)-N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-2-(4-methylphenyl)acetamide
CID 72904212
N-[3-(3-methylpyrazol-1-yl)propyl]butanamide
CID 19323910
N-[2-[[(2S)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]amino]ethyl]-4-fluorobenzamide
CID 97150151
3-methoxy-N-[3-(3-methylpyrazol-1-yl)propyl]benzamide
CID 19297962

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide?
The IUPAC name of (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide (CID 97131699) is (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide.
What is the SMILES notation for (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide?
The canonical SMILES for (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide is Cc1cccc([C@@H](C(=O)NCCCn2ccc(C)n2)N(C)C)c1.
What is the InChIKey of (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide?
The InChIKey is MOMDYOLDISYRIS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14-7-5-8-16(13-14)17(21(3)4)18(23)19-10-6-11-22-12-9-15(2)20-22/h5,7-9,12-13,17H,6,10-11H2,1-4H3,(H,19,23)/t17-/m0/s1.
What are the key properties of (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide?
(2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide has a molecular weight of 314.43 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(dimethylamino)-2-(3-methylphenyl)-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 97131699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).