N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]-2-methylphenyl]acetamide

C14H20N4O — CID 19599228

IUPACN-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cccc(/N=C(\N)N2CCCC2)c1C
InChIInChI=1S/C14H20N4O/c1-10-12(16-11(2)19)6-5-7-13(10)17-14(15)18-8-3-4-9-18/h5-7H,3-4,8-9H2,1-2H3,(H2,15,17)(H,16,19)
InChIKeyKNMMDPJYVHCPTJ-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.00
Rot. Bonds2

About N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]-2-methylphenyl]acetamide

N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]-2-methylphenyl]acetamide (PubChem CID 19599228) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]-2-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]-2-methylphenyl]acetamide
PubChem CID19599228
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]-2-methylphenyl]acetamide
SMILESCC(=O)Nc1cccc(/N=C(\N)N2CCCC2)c1C
InChIInChI=1S/C14H20N4O/c1-10-12(16-11(2)19)6-5-7-13(10)17-14(15)18-8-3-4-9-18/h5-7H,3-4,8-9H2,1-2H3,(H2,15,17)(H,16,19)
InChIKeyKNMMDPJYVHCPTJ-UHFFFAOYSA-N
XLogP2.00
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(2-prop-1-en-2-ylphenyl)pyrrolidine-1-carboximidamide
CID 13258794
N-(3-hydroxy-2-methylphenyl)piperidine-1-carboxamide
CID 79155888
N-[3-[[amino-[(E)-[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide
CID 71512309
N-[3-[[amino-[[amino(piperidin-1-yl)methylidene]amino]methylidene]amino]phenyl]acetamide;hydrochloride
CID 172751827
2-(azepan-1-yl)-N-(2,3-dimethylphenyl)-2-oxoacetamide
CID 47335483
N-(3-acetamido-2-methylphenyl)cyclopropanecarboxamide
CID 46761229
2-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)-2-oxoacetamide
CID 47335495
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
N'-(2-methylanilino)azepane-1-carboximidamide
CID 10037578
3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119310023
N-[2-(2-acetamido-6-methylphenyl)-3-methylphenyl]acetamide
CID 22971546
3-[[amino(thiomorpholin-4-yl)methylidene]amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 111092466

Frequently Asked Questions

What is the IUPAC name of N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]-2-methylphenyl]acetamide?
The IUPAC name of N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]-2-methylphenyl]acetamide (CID 19599228) is N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]-2-methylphenyl]acetamide.
What is the SMILES notation for N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]-2-methylphenyl]acetamide?
The canonical SMILES for N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]-2-methylphenyl]acetamide is CC(=O)Nc1cccc(/N=C(\N)N2CCCC2)c1C.
What is the InChIKey of N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]-2-methylphenyl]acetamide?
The InChIKey is KNMMDPJYVHCPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-10-12(16-11(2)19)6-5-7-13(10)17-14(15)18-8-3-4-9-18/h5-7H,3-4,8-9H2,1-2H3,(H2,15,17)(H,16,19).
What are the key properties of N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]-2-methylphenyl]acetamide?
N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]-2-methylphenyl]acetamide has a molecular weight of 260.34 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[amino(pyrrolidin-1-yl)methylidene]amino]-2-methylphenyl]acetamide is sourced from PubChem (CID 19599228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).