N-[3-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]phenyl]butanamide

C17H23N5O2 — CID 71922693

IUPACN-[3-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NCC(=O)Nc2cc(C)nn2C)c1
InChIInChI=1S/C17H23N5O2/c1-4-6-16(23)19-14-8-5-7-13(10-14)18-11-17(24)20-15-9-12(2)21-22(15)3/h5,7-10,18H,4,6,11H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyIUBIWJNOBXWFNU-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.52
Rot. Bonds7

About N-[3-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]phenyl]butanamide

N-[3-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]phenyl]butanamide (PubChem CID 71922693) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[3-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[3-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]phenyl]butanamide
PubChem CID71922693
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[3-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]phenyl]butanamide
SMILESCCCC(=O)Nc1cccc(NCC(=O)Nc2cc(C)nn2C)c1
InChIInChI=1S/C17H23N5O2/c1-4-6-16(23)19-14-8-5-7-13(10-14)18-11-17(24)20-15-9-12(2)21-22(15)3/h5,7-10,18H,4,6,11H2,1-3H3,(H,19,23)(H,20,24)
InChIKeyIUBIWJNOBXWFNU-UHFFFAOYSA-N
XLogP2.52
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dimethylpyrazol-3-yl)-2-(4-ethylanilino)acetamide
CID 86913432
N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839157
N-[3-[[2-(4-iodoanilino)acetyl]amino]phenyl]butanamide
CID 54812294
N-[3-[[2-[2-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830788
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
N-[3-(butanoylamino)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 87026220
N-[3-[[2-(4-butan-2-yloxyanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54830461
3-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54830817
N-[3-[[2-[3-(2-methoxyethoxy)anilino]-2-oxoethyl]amino]phenyl]butanamide
CID 54830494
N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54830652
N-[3-[[2-(4-butan-2-yloxyanilino)acetyl]amino]phenyl]butanamide
CID 54830125
N-[3-[[2-(2,4,5-trichloroanilino)acetyl]amino]phenyl]butanamide
CID 54816397

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]phenyl]butanamide?
The IUPAC name of N-[3-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]phenyl]butanamide (CID 71922693) is N-[3-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]phenyl]butanamide.
What is the SMILES notation for N-[3-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]phenyl]butanamide?
The canonical SMILES for N-[3-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]phenyl]butanamide is CCCC(=O)Nc1cccc(NCC(=O)Nc2cc(C)nn2C)c1.
What is the InChIKey of N-[3-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]phenyl]butanamide?
The InChIKey is IUBIWJNOBXWFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-4-6-16(23)19-14-8-5-7-13(10-14)18-11-17(24)20-15-9-12(2)21-22(15)3/h5,7-10,18H,4,6,11H2,1-3H3,(H,19,23)(H,20,24).
What are the key properties of N-[3-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]phenyl]butanamide?
N-[3-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]phenyl]butanamide has a molecular weight of 329.40 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[(2,5-dimethylpyrazol-3-yl)amino]-2-oxoethyl]amino]phenyl]butanamide is sourced from PubChem (CID 71922693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).