N-cyclopropyl-N'-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]oxamide

C19H26N4O3 — CID 9352623

IUPACN-cyclopropyl-N'-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]oxamide
SMILESCOc1ccc(/C(C)=N\NC(=O)C(=O)NC2CC2)cc1CN1CCCC1
InChIInChI=1S/C19H26N4O3/c1-13(21-22-19(25)18(24)20-16-6-7-16)14-5-8-17(26-2)15(11-14)12-23-9-3-4-10-23/h5,8,11,16H,3-4,6-7,9-10,12H2,1-2H3,(H,20,24)(H,22,25)/b21-13-
InChIKeyFILGBQBSNJPJKH-BKUYFWCQSA-N
MW358.44 g/mol
LogP1.41
Rot. Bonds6

About N-cyclopropyl-N'-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]oxamide

N-cyclopropyl-N'-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]oxamide (PubChem CID 9352623) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-cyclopropyl-N'-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]oxamide.

Molecular Properties

Compound NameN-cyclopropyl-N'-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]oxamide
PubChem CID9352623
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-cyclopropyl-N'-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]oxamide
SMILESCOc1ccc(/C(C)=N\NC(=O)C(=O)NC2CC2)cc1CN1CCCC1
InChIInChI=1S/C19H26N4O3/c1-13(21-22-19(25)18(24)20-16-6-7-16)14-5-8-17(26-2)15(11-14)12-23-9-3-4-10-23/h5,8,11,16H,3-4,6-7,9-10,12H2,1-2H3,(H,20,24)(H,22,25)/b21-13-
InChIKeyFILGBQBSNJPJKH-BKUYFWCQSA-N
XLogP1.41
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(Z)-1-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]carbamate
CID 9075342
N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide
CID 9176977
(3S)-N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 9237657
2,3,4,5,6-pentafluoro-N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]aniline
CID 9466416
N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029761
1-[(4-methoxyphenyl)methyl]-3-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]thiourea
CID 9176269
3-chloro-N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]aniline
CID 9076601
N-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 9217433
2-[4-methoxy-3-(piperidin-1-ylmethyl)phenyl]-2-oxoacetic acid
CID 117444225
[1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino] 4-nitrobenzoate
CID 2803621
1-[3-[(4-ethylpiperazin-1-yl)methyl]-4-methoxyphenyl]ethanone
CID 43218731
2-[2-methoxy-5-[(Z)-C-methyl-N-[[2-oxo-2-(propan-2-ylamino)acetyl]amino]carbonimidoyl]phenyl]acetate
CID 9351645

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]oxamide?
The IUPAC name of N-cyclopropyl-N'-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]oxamide (CID 9352623) is N-cyclopropyl-N'-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]oxamide.
What is the SMILES notation for N-cyclopropyl-N'-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]oxamide?
The canonical SMILES for N-cyclopropyl-N'-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]oxamide is COc1ccc(/C(C)=N\NC(=O)C(=O)NC2CC2)cc1CN1CCCC1.
What is the InChIKey of N-cyclopropyl-N'-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]oxamide?
The InChIKey is FILGBQBSNJPJKH-BKUYFWCQSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-13(21-22-19(25)18(24)20-16-6-7-16)14-5-8-17(26-2)15(11-14)12-23-9-3-4-10-23/h5,8,11,16H,3-4,6-7,9-10,12H2,1-2H3,(H,20,24)(H,22,25)/b21-13-.
What are the key properties of N-cyclopropyl-N'-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]oxamide?
N-cyclopropyl-N'-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]oxamide has a molecular weight of 358.44 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-[(Z)-1-[4-methoxy-3-(pyrrolidin-1-ylmethyl)phenyl]ethylideneamino]oxamide is sourced from PubChem (CID 9352623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).