(2R)-N-benzyl-2-[(1-tert-butylpyrazol-4-yl)amino]-N-methylpropanamide

C18H26N4O — CID 99822953

IUPAC(2R)-N-benzyl-2-[(1-tert-butylpyrazol-4-yl)amino]-N-methylpropanamide
SMILESC[C@@H](Nc1cnn(C(C)(C)C)c1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H26N4O/c1-14(20-16-11-19-22(13-16)18(2,3)4)17(23)21(5)12-15-9-7-6-8-10-15/h6-11,13-14,20H,12H2,1-5H3/t14-/m1/s1
InChIKeyAOMLNLULDJZGOG-CQSZACIVSA-N
MW314.43 g/mol
LogP3.10
Rot. Bonds5

About (2R)-N-benzyl-2-[(1-tert-butylpyrazol-4-yl)amino]-N-methylpropanamide

(2R)-N-benzyl-2-[(1-tert-butylpyrazol-4-yl)amino]-N-methylpropanamide (PubChem CID 99822953) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is (2R)-N-benzyl-2-[(1-tert-butylpyrazol-4-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-N-benzyl-2-[(1-tert-butylpyrazol-4-yl)amino]-N-methylpropanamide
PubChem CID99822953
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name(2R)-N-benzyl-2-[(1-tert-butylpyrazol-4-yl)amino]-N-methylpropanamide
SMILESC[C@@H](Nc1cnn(C(C)(C)C)c1)C(=O)N(C)Cc1ccccc1
InChIInChI=1S/C18H26N4O/c1-14(20-16-11-19-22(13-16)18(2,3)4)17(23)21(5)12-15-9-7-6-8-10-15/h6-11,13-14,20H,12H2,1-5H3/t14-/m1/s1
InChIKeyAOMLNLULDJZGOG-CQSZACIVSA-N
XLogP3.10
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-benzyl-2-[(1-tert-butylpyrazol-4-yl)amino]-N-methylpropanamide?
The IUPAC name of (2R)-N-benzyl-2-[(1-tert-butylpyrazol-4-yl)amino]-N-methylpropanamide (CID 99822953) is (2R)-N-benzyl-2-[(1-tert-butylpyrazol-4-yl)amino]-N-methylpropanamide.
What is the SMILES notation for (2R)-N-benzyl-2-[(1-tert-butylpyrazol-4-yl)amino]-N-methylpropanamide?
The canonical SMILES for (2R)-N-benzyl-2-[(1-tert-butylpyrazol-4-yl)amino]-N-methylpropanamide is C[C@@H](Nc1cnn(C(C)(C)C)c1)C(=O)N(C)Cc1ccccc1.
What is the InChIKey of (2R)-N-benzyl-2-[(1-tert-butylpyrazol-4-yl)amino]-N-methylpropanamide?
The InChIKey is AOMLNLULDJZGOG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N4O/c1-14(20-16-11-19-22(13-16)18(2,3)4)17(23)21(5)12-15-9-7-6-8-10-15/h6-11,13-14,20H,12H2,1-5H3/t14-/m1/s1.
What are the key properties of (2R)-N-benzyl-2-[(1-tert-butylpyrazol-4-yl)amino]-N-methylpropanamide?
(2R)-N-benzyl-2-[(1-tert-butylpyrazol-4-yl)amino]-N-methylpropanamide has a molecular weight of 314.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-benzyl-2-[(1-tert-butylpyrazol-4-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 99822953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).