N-(3-anilino-3-oxopropyl)-3-(3,5-dimethylpyrazolidin-4-yl)propanamide

C17H26N4O2 — CID 134127269

IUPACN-(3-anilino-3-oxopropyl)-3-(3,5-dimethylpyrazolidin-4-yl)propanamide
SMILESCC1NNC(C)C1CCC(=O)NCCC(=O)Nc1ccccc1
InChIInChI=1S/C17H26N4O2/c1-12-15(13(2)21-20-12)8-9-16(22)18-11-10-17(23)19-14-6-4-3-5-7-14/h3-7,12-13,15,20-21H,8-11H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyUOCAYUOLTGUWBD-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.41
Rot. Bonds7

About N-(3-anilino-3-oxopropyl)-3-(3,5-dimethylpyrazolidin-4-yl)propanamide

N-(3-anilino-3-oxopropyl)-3-(3,5-dimethylpyrazolidin-4-yl)propanamide (PubChem CID 134127269) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(3-anilino-3-oxopropyl)-3-(3,5-dimethylpyrazolidin-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-anilino-3-oxopropyl)-3-(3,5-dimethylpyrazolidin-4-yl)propanamide
PubChem CID134127269
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-(3-anilino-3-oxopropyl)-3-(3,5-dimethylpyrazolidin-4-yl)propanamide
SMILESCC1NNC(C)C1CCC(=O)NCCC(=O)Nc1ccccc1
InChIInChI=1S/C17H26N4O2/c1-12-15(13(2)21-20-12)8-9-16(22)18-11-10-17(23)19-14-6-4-3-5-7-14/h3-7,12-13,15,20-21H,8-11H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyUOCAYUOLTGUWBD-UHFFFAOYSA-N
XLogP1.41
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-phenylpropanamide
CID 7946185
3-(phenylcarbamoylamino)-N-[4-(phenylcarbamoylamino)phenyl]propanamide
CID 24676857
3-[[2-(cyclopropylmethylamino)acetyl]amino]-N-phenylpropanamide
CID 119785804
3-(3,5-dimethylpyrazolidin-4-yl)-N-quinolin-5-ylpropanamide
CID 134067274
2-amino-N-(3-anilino-3-oxopropyl)-2-methylpentanamide
CID 119785826
1-amino-N-(3-anilino-3-oxopropyl)cyclopropane-1-carboxamide
CID 119785778
(2S)-N-(3-anilino-3-oxopropyl)-2-bromopentanamide
CID 40803155
N-(3-anilino-3-oxopropyl)-2-hydroxycyclopentane-1-carboxamide
CID 110014616
3-oxo-N-phenylbutanamide
CID 161275903
3-fluoro-N-phenylpropanamide
CID 70366284
tert-butyl N-[3-(4-anilinoanilino)-3-oxopropyl]carbamate
CID 29265817
3-acetamido-N-pyridin-3-ylpropanamide
CID 91801519

Frequently Asked Questions

What is the IUPAC name of N-(3-anilino-3-oxopropyl)-3-(3,5-dimethylpyrazolidin-4-yl)propanamide?
The IUPAC name of N-(3-anilino-3-oxopropyl)-3-(3,5-dimethylpyrazolidin-4-yl)propanamide (CID 134127269) is N-(3-anilino-3-oxopropyl)-3-(3,5-dimethylpyrazolidin-4-yl)propanamide.
What is the SMILES notation for N-(3-anilino-3-oxopropyl)-3-(3,5-dimethylpyrazolidin-4-yl)propanamide?
The canonical SMILES for N-(3-anilino-3-oxopropyl)-3-(3,5-dimethylpyrazolidin-4-yl)propanamide is CC1NNC(C)C1CCC(=O)NCCC(=O)Nc1ccccc1.
What is the InChIKey of N-(3-anilino-3-oxopropyl)-3-(3,5-dimethylpyrazolidin-4-yl)propanamide?
The InChIKey is UOCAYUOLTGUWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-12-15(13(2)21-20-12)8-9-16(22)18-11-10-17(23)19-14-6-4-3-5-7-14/h3-7,12-13,15,20-21H,8-11H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N-(3-anilino-3-oxopropyl)-3-(3,5-dimethylpyrazolidin-4-yl)propanamide?
N-(3-anilino-3-oxopropyl)-3-(3,5-dimethylpyrazolidin-4-yl)propanamide has a molecular weight of 318.42 g/mol, XLogP of 1.41, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-anilino-3-oxopropyl)-3-(3,5-dimethylpyrazolidin-4-yl)propanamide is sourced from PubChem (CID 134127269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).