2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[[4-(dimethylamino)phenyl]methyl]acetamide

C19H24N6O2 — CID 22713567

IUPAC2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)NCC(=O)NCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H24N6O2/c1-25(2)16-9-3-13(4-10-16)11-22-17(26)12-23-19(27)24-15-7-5-14(6-8-15)18(20)21/h3-10H,11-12H2,1-2H3,(H3,20,21)(H,22,26)(H2,23,24,27)
InChIKeyDHLWVZIHLVZPDF-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.47
Rot. Bonds7

About 2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[[4-(dimethylamino)phenyl]methyl]acetamide

2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[[4-(dimethylamino)phenyl]methyl]acetamide (PubChem CID 22713567) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[[4-(dimethylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
PubChem CID22713567
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)NCC(=O)NCc2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C19H24N6O2/c1-25(2)16-9-3-13(4-10-16)11-22-17(26)12-23-19(27)24-15-7-5-14(6-8-15)18(20)21/h3-10H,11-12H2,1-2H3,(H3,20,21)(H,22,26)(H2,23,24,27)
InChIKeyDHLWVZIHLVZPDF-UHFFFAOYSA-N
XLogP1.47
TPSA123.34 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.47
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[[4-(dimethylamino)phenyl]methyl]-3-phenylpropanamide
CID 15521687
2-acetamido-N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 70335688
4-[[[4-(dimethylamino)phenyl]carbamoylamino]methyl]benzoic acid
CID 108894779
N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 16744801
methyl 2-[[4-[[4-(dimethylamino)phenyl]methylcarbamoylamino]benzoyl]amino]acetate
CID 47033100
2-[(4-chlorophenyl)carbamoylamino]-N-[4-(dimethylamino)phenyl]acetamide
CID 110407251
(4S)-4-amino-5-[[2-[(4-carbamimidoylphenyl)methylamino]-2-oxoethyl]amino]-5-oxopentanoic acid
CID 73350148
2-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 108997892
N-[[4-(carbamoylamino)phenyl]methyl]-2-[(3-methylphenyl)carbamoylamino]acetamide
CID 55677891
N'-(4-carbamimidoylphenyl)propanediamide
CID 142702544
1-[4-(aminomethyl)phenyl]-3-[4-(dimethylamino)phenyl]urea
CID 43617199
methyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate
CID 60517999

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[[4-(dimethylamino)phenyl]methyl]acetamide?
The IUPAC name of 2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[[4-(dimethylamino)phenyl]methyl]acetamide (CID 22713567) is 2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[[4-(dimethylamino)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[[4-(dimethylamino)phenyl]methyl]acetamide?
The canonical SMILES for 2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[[4-(dimethylamino)phenyl]methyl]acetamide is [H]/N=C(\N)c1ccc(NC(=O)NCC(=O)NCc2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[[4-(dimethylamino)phenyl]methyl]acetamide?
The InChIKey is DHLWVZIHLVZPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-25(2)16-9-3-13(4-10-16)11-22-17(26)12-23-19(27)24-15-7-5-14(6-8-15)18(20)21/h3-10H,11-12H2,1-2H3,(H3,20,21)(H,22,26)(H2,23,24,27).
What are the key properties of 2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[[4-(dimethylamino)phenyl]methyl]acetamide?
2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[[4-(dimethylamino)phenyl]methyl]acetamide has a molecular weight of 368.44 g/mol, XLogP of 1.47, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamimidoylphenyl)carbamoylamino]-N-[[4-(dimethylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 22713567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).