N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-phenyl-N-propan-2-ylbenzamide

C29H38N4O2 — CID 42733521

IUPACN-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-phenyl-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H38N4O2/c1-20(2)32(27(35)23-16-14-22(15-17-23)21-12-10-9-11-13-21)19-26(34)30-25-18-24(28(3,4)5)31-33(25)29(6,7)8/h9-18,20H,19H2,1-8H3,(H,30,34)
InChIKeyNDBWVPRSAZCBEL-UHFFFAOYSA-N
MW474.65 g/mol
LogP6.09
Rot. Bonds6

About N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-phenyl-N-propan-2-ylbenzamide

N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-phenyl-N-propan-2-ylbenzamide (PubChem CID 42733521) has the molecular formula C29H38N4O2 and a molecular weight of 474.65 g/mol. Its IUPAC name is N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-phenyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-phenyl-N-propan-2-ylbenzamide
PubChem CID42733521
Molecular FormulaC29H38N4O2
Molecular Weight474.65 g/mol
Exact Mass474.30
IUPAC NameN-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-phenyl-N-propan-2-ylbenzamide
SMILESCC(C)N(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H38N4O2/c1-20(2)32(27(35)23-16-14-22(15-17-23)21-12-10-9-11-13-21)19-26(34)30-25-18-24(28(3,4)5)31-33(25)29(6,7)8/h9-18,20H,19H2,1-8H3,(H,30,34)
InChIKeyNDBWVPRSAZCBEL-UHFFFAOYSA-N
XLogP6.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.65
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,3-dimethylphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 1052740
4-tert-butyl-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 5007757
4-chloro-N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 1052179
N-(1,3-ditert-butylpyrazol-5-yl)-2-[(2,4-dimethylphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 1052737
4-methyl-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 4669802
N-[2-[[3-tert-butyl-1-(4-methoxyphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-4-methoxy-N-propan-2-ylbenzamide
CID 42740757
4-tert-butyl-N-[2-[[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3525101
2-bromo-N-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 42740459
N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-2-fluoro-N-(2-methylpropyl)benzamide
CID 42733207
2-[[2-(4-chlorophenoxy)acetyl]-propan-2-ylamino]-N-(1,3-ditert-butylpyrazol-5-yl)acetamide
CID 42733515
N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-methyl-4-phenylbenzamide
CID 42735487
3-bromo-N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 1052200

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-phenyl-N-propan-2-ylbenzamide?
The IUPAC name of N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-phenyl-N-propan-2-ylbenzamide (CID 42733521) is N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-phenyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-phenyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-phenyl-N-propan-2-ylbenzamide is CC(C)N(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-phenyl-N-propan-2-ylbenzamide?
The InChIKey is NDBWVPRSAZCBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O2/c1-20(2)32(27(35)23-16-14-22(15-17-23)21-12-10-9-11-13-21)19-26(34)30-25-18-24(28(3,4)5)31-33(25)29(6,7)8/h9-18,20H,19H2,1-8H3,(H,30,34).
What are the key properties of N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-phenyl-N-propan-2-ylbenzamide?
N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-phenyl-N-propan-2-ylbenzamide has a molecular weight of 474.65 g/mol, XLogP of 6.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,3-ditert-butylpyrazol-5-yl)amino]-2-oxoethyl]-4-phenyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 42733521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).