(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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Related Compounds

(2R)-2-[(1-tert-butylpyrazol-4-yl)amino]-N-(2-cyanoethyl)-N-methylpropanamide
CID 99822977
N-benzyl-2-(4-chloroanilino)-N-methylpropanamide
CID 78786179
4-[[1-[benzyl(methyl)amino]-1-oxopropan-2-yl]amino]-N-cyclopropylbenzamide
CID 55511124
(2S)-N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967422
N-benzyl-2-methoxy-N-methylpropanamide
CID 112685507
2-[benzyl-(1-tert-butylpyrazole-4-carbonyl)amino]acetic acid
CID 75526363
3-[benzyl(methyl)amino]-2-methyl-3-oxopropanoic acid
CID 22443965
N-benzyl-1-tert-butyl-N-methyl-5-propan-2-ylpyrazole-4-carboxamide
CID 42818320
(2S)-2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 61148158
2-amino-N-benzyl-N,3,3-trimethylbutanamide
CID 76891956
5-[benzyl(methyl)amino]-4-methyl-5-oxopentanoic acid
CID 112516106
(2R)-N-(1-tert-butylpyrazol-4-yl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 96560248

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).