N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide

C15H21N3O2 — CID 47224104

IUPACN'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide
SMILESCC(C)NC(=O)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H21N3O2/c1-11(2)16-14(19)15(20)17-12-5-7-13(8-6-12)18-9-3-4-10-18/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyPAMJJYWVXLDEPE-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.75
Rot. Bonds3

About N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide

N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide (PubChem CID 47224104) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide.

Molecular Properties

Compound NameN'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide
PubChem CID47224104
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC NameN'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide
SMILESCC(C)NC(=O)C(=O)Nc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H21N3O2/c1-11(2)16-14(19)15(20)17-12-5-7-13(8-6-12)18-9-3-4-10-18/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyPAMJJYWVXLDEPE-UHFFFAOYSA-N
XLogP1.75
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-butan-2-yl-N-(4-piperidin-1-ylphenyl)oxamide
CID 108505469
1-propan-2-yl-3-[4-(4-pyrrolidin-1-ylanilino)phenyl]urea
CID 112988776
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
methyl 2-oxo-2-(4-pyrrolidin-1-ylanilino)acetate
CID 112617224
N-propyl-N'-(4-pyrrolidin-1-ylphenyl)oxamide
CID 47226004
(2R)-2-amino-N-(4-piperidin-1-ylphenyl)propanamide
CID 54996178
(2S)-N-[4-(azepan-1-yl)phenyl]-2-chloropropanamide
CID 51869081
(4-pyrrolidin-1-ylphenyl)carbamic acid
CID 91209465
1-(4-morpholin-4-ylphenyl)-3-propan-2-ylurea
CID 47173524
N-butyl-N'-(4-piperidin-1-ylphenyl)oxamide
CID 108505148
N-(4-piperidin-1-ylphenyl)-N'-(2-propan-2-yloxyphenyl)oxamide
CID 108987317
3-chloro-2-methyl-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 62727759

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide?
The IUPAC name of N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide (CID 47224104) is N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide.
What is the SMILES notation for N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide?
The canonical SMILES for N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide is CC(C)NC(=O)C(=O)Nc1ccc(N2CCCC2)cc1.
What is the InChIKey of N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide?
The InChIKey is PAMJJYWVXLDEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(2)16-14(19)15(20)17-12-5-7-13(8-6-12)18-9-3-4-10-18/h5-8,11H,3-4,9-10H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide?
N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide has a molecular weight of 275.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-(4-pyrrolidin-1-ylphenyl)oxamide is sourced from PubChem (CID 47224104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).