2-(2-methylanilino)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide

C15H18N4O — CID 5405124

IUPAC2-(2-methylanilino)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
SMILESCc1ccccc1NCC(=O)N/N=C\c1cccn1C
InChIInChI=1S/C15H18N4O/c1-12-6-3-4-8-14(12)16-11-15(20)18-17-10-13-7-5-9-19(13)2/h3-10,16H,11H2,1-2H3,(H,18,20)/b17-10-
InChIKeyVPNMJAVKJPBADJ-YVLHZVERSA-N
MW270.34 g/mol
LogP1.90
Rot. Bonds5

About 2-(2-methylanilino)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide

2-(2-methylanilino)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide (PubChem CID 5405124) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-(2-methylanilino)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methylanilino)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
PubChem CID5405124
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-(2-methylanilino)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
SMILESCc1ccccc1NCC(=O)N/N=C\c1cccn1C
InChIInChI=1S/C15H18N4O/c1-12-6-3-4-8-14(12)16-11-15(20)18-17-10-13-7-5-9-19(13)2/h3-10,16H,11H2,1-2H3,(H,18,20)/b17-10-
InChIKeyVPNMJAVKJPBADJ-YVLHZVERSA-N
XLogP1.90
TPSA58.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', '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

2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 870845
N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]propanamide
CID 45123007
[(E)-(1-methylpyrrol-2-yl)methylideneamino]carbamic acid
CID 23220001
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-methylanilino)acetamide
CID 948392
2-(2-methylanilino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6872977
N-[(E)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135939477
N-[(3,4-dichlorophenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 4111290
N-[[5-(3-chlorophenyl)furan-2-yl]methylideneamino]-2-(2-methylanilino)acetamide
CID 1356875
N-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 4573308
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-2-(2-methylanilino)acetamide
CID 5414254
N-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 135419703
2-(2-methylanilino)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 968085

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-methylanilino)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide (CID 5405124) is 2-(2-methylanilino)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-methylanilino)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-methylanilino)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide is Cc1ccccc1NCC(=O)N/N=C\c1cccn1C.
What is the InChIKey of 2-(2-methylanilino)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide?
The InChIKey is VPNMJAVKJPBADJ-YVLHZVERSA-N. The full InChI is InChI=1S/C15H18N4O/c1-12-6-3-4-8-14(12)16-11-15(20)18-17-10-13-7-5-9-19(13)2/h3-10,16H,11H2,1-2H3,(H,18,20)/b17-10-.
What are the key properties of 2-(2-methylanilino)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide?
2-(2-methylanilino)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide has a molecular weight of 270.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide is sourced from PubChem (CID 5405124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).