(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutanamide

C19H34N4O2 — CID 52514829

IUPAC(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutanamide
SMILESCc1cc(C)n(CCCNC(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C19H34N4O2/c1-13(2)18(22-11-16(5)25-17(6)12-22)19(24)20-8-7-9-23-15(4)10-14(3)21-23/h10,13,16-18H,7-9,11-12H2,1-6H3,(H,20,24)/t16-,17+,18-/m1/s1
InChIKeyQLLWVIVNZSAJDI-FGTMMUONSA-N
MW350.51 g/mol
LogP2.14
Rot. Bonds7

About (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutanamide

(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutanamide (PubChem CID 52514829) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutanamide.

Molecular Properties

Compound Name(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutanamide
PubChem CID52514829
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC Name(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutanamide
SMILESCc1cc(C)n(CCCNC(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)n1
InChIInChI=1S/C19H34N4O2/c1-13(2)18(22-11-16(5)25-17(6)12-22)19(24)20-8-7-9-23-15(4)10-14(3)21-23/h10,13,16-18H,7-9,11-12H2,1-6H3,(H,20,24)/t16-,17+,18-/m1/s1
InChIKeyQLLWVIVNZSAJDI-FGTMMUONSA-N
XLogP2.14
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutanamide
CID 52514832
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]propanamide
CID 114538986
5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide
CID 114536632
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,3-dimethylbutanamide
CID 115750968
1-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylguanidine;hydroiodide
CID 111278950
cis-(1R,2S)-2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124574731
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534766
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide
CID 115573484
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
1-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylguanidine;hydroiodide
CID 111279282

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutanamide?
The IUPAC name of (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutanamide (CID 52514829) is (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutanamide.
What is the SMILES notation for (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutanamide?
The canonical SMILES for (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutanamide is Cc1cc(C)n(CCCNC(=O)[C@@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)n1.
What is the InChIKey of (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutanamide?
The InChIKey is QLLWVIVNZSAJDI-FGTMMUONSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-13(2)18(22-11-16(5)25-17(6)12-22)19(24)20-8-7-9-23-15(4)10-14(3)21-23/h10,13,16-18H,7-9,11-12H2,1-6H3,(H,20,24)/t16-,17+,18-/m1/s1.
What are the key properties of (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutanamide?
(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutanamide has a molecular weight of 350.51 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methylbutanamide is sourced from PubChem (CID 52514829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).