2-[4-[(N'-benzyl-N-propan-2-ylcarbamimidoyl)amino]phenyl]acetamide

C19H24N4O — CID 100967764

IUPAC2-[4-[(N'-benzyl-N-propan-2-ylcarbamimidoyl)amino]phenyl]acetamide
SMILESCC(C)N/C(=N\Cc1ccccc1)Nc1ccc(CC(N)=O)cc1
InChIInChI=1S/C19H24N4O/c1-14(2)22-19(21-13-16-6-4-3-5-7-16)23-17-10-8-15(9-11-17)12-18(20)24/h3-11,14H,12-13H2,1-2H3,(H2,20,24)(H2,21,22,23)
InChIKeyLZHYJLSHGPHLQH-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.68
Rot. Bonds6

About 2-[4-[(N'-benzyl-N-propan-2-ylcarbamimidoyl)amino]phenyl]acetamide

2-[4-[(N'-benzyl-N-propan-2-ylcarbamimidoyl)amino]phenyl]acetamide (PubChem CID 100967764) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[4-[(N'-benzyl-N-propan-2-ylcarbamimidoyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(N'-benzyl-N-propan-2-ylcarbamimidoyl)amino]phenyl]acetamide
PubChem CID100967764
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-[4-[(N'-benzyl-N-propan-2-ylcarbamimidoyl)amino]phenyl]acetamide
SMILESCC(C)N/C(=N\Cc1ccccc1)Nc1ccc(CC(N)=O)cc1
InChIInChI=1S/C19H24N4O/c1-14(2)22-19(21-13-16-6-4-3-5-7-16)23-17-10-8-15(9-11-17)12-18(20)24/h3-11,14H,12-13H2,1-2H3,(H2,20,24)(H2,21,22,23)
InChIKeyLZHYJLSHGPHLQH-UHFFFAOYSA-N
XLogP2.68
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.68
H-Bond Donors ≤ 53
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

1-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]-3-propan-2-ylurea
CID 110915490
2-[4-[[N'-(4-methylphenyl)-N-phenylcarbamimidoyl]amino]phenyl]acetamide
CID 100967758
2-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 47248811
N-[4-[(diaminomethylideneamino)methyl]phenyl]-2-methylpropanamide
CID 110914570
N-[N'-benzyl-N-(4-methylphenyl)carbamimidoyl]benzamide
CID 155542579
1-[4-[[bis(ethylamino)methylideneamino]methyl]phenyl]-3-propan-2-ylurea;hydroiodide
CID 110915481
N-benzyl-2,4-dimethylpentan-3-imine
CID 15160187
N-[4-[[(N'-benzyl-N-ethylcarbamimidoyl)amino]methyl]phenyl]-2-methylpropanamide;hydroiodide
CID 110954439
1-amino-2-[(4-methylphenyl)methyl]-3-phenylguanidine
CID 116512555
1-[4-[[[ethylamino-(2-phenoxyethylamino)methylidene]amino]methyl]phenyl]-3-propan-2-ylurea
CID 111006039
N-[4-[[[ethylamino-(propan-2-ylamino)methylidene]amino]methyl]phenyl]butanamide;hydroiodide
CID 111124938
N'-[(4-methylphenyl)methyl]-2-phenylethanimidamide
CID 10586033

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(N'-benzyl-N-propan-2-ylcarbamimidoyl)amino]phenyl]acetamide?
The IUPAC name of 2-[4-[(N'-benzyl-N-propan-2-ylcarbamimidoyl)amino]phenyl]acetamide (CID 100967764) is 2-[4-[(N'-benzyl-N-propan-2-ylcarbamimidoyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[(N'-benzyl-N-propan-2-ylcarbamimidoyl)amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[(N'-benzyl-N-propan-2-ylcarbamimidoyl)amino]phenyl]acetamide is CC(C)N/C(=N\Cc1ccccc1)Nc1ccc(CC(N)=O)cc1.
What is the InChIKey of 2-[4-[(N'-benzyl-N-propan-2-ylcarbamimidoyl)amino]phenyl]acetamide?
The InChIKey is LZHYJLSHGPHLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14(2)22-19(21-13-16-6-4-3-5-7-16)23-17-10-8-15(9-11-17)12-18(20)24/h3-11,14H,12-13H2,1-2H3,(H2,20,24)(H2,21,22,23).
What are the key properties of 2-[4-[(N'-benzyl-N-propan-2-ylcarbamimidoyl)amino]phenyl]acetamide?
2-[4-[(N'-benzyl-N-propan-2-ylcarbamimidoyl)amino]phenyl]acetamide has a molecular weight of 324.43 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(N'-benzyl-N-propan-2-ylcarbamimidoyl)amino]phenyl]acetamide is sourced from PubChem (CID 100967764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).