2-[(4-carbamimidoylphenyl)carbamoyl-hydroxyamino]-N-[1-(4-methylphenyl)ethyl]acetamide

C19H23N5O3 — CID 22713574

IUPAC2-[(4-carbamimidoylphenyl)carbamoyl-hydroxyamino]-N-[1-(4-methylphenyl)ethyl]acetamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)N(O)CC(=O)NC(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H23N5O3/c1-12-3-5-14(6-4-12)13(2)22-17(25)11-24(27)19(26)23-16-9-7-15(8-10-16)18(20)21/h3-10,13,27H,11H2,1-2H3,(H3,20,21)(H,22,25)(H,23,26)
InChIKeyYXGOZOSEKVRVRX-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.38
Rot. Bonds6

About 2-[(4-carbamimidoylphenyl)carbamoyl-hydroxyamino]-N-[1-(4-methylphenyl)ethyl]acetamide

2-[(4-carbamimidoylphenyl)carbamoyl-hydroxyamino]-N-[1-(4-methylphenyl)ethyl]acetamide (PubChem CID 22713574) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[(4-carbamimidoylphenyl)carbamoyl-hydroxyamino]-N-[1-(4-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4-carbamimidoylphenyl)carbamoyl-hydroxyamino]-N-[1-(4-methylphenyl)ethyl]acetamide
PubChem CID22713574
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name2-[(4-carbamimidoylphenyl)carbamoyl-hydroxyamino]-N-[1-(4-methylphenyl)ethyl]acetamide
SMILES[H]/N=C(\N)c1ccc(NC(=O)N(O)CC(=O)NC(C)c2ccc(C)cc2)cc1
InChIInChI=1S/C19H23N5O3/c1-12-3-5-14(6-4-12)13(2)22-17(25)11-24(27)19(26)23-16-9-7-15(8-10-16)18(20)21/h3-10,13,27H,11H2,1-2H3,(H3,20,21)(H,22,25)(H,23,26)
InChIKeyYXGOZOSEKVRVRX-UHFFFAOYSA-N
XLogP2.38
TPSA131.54 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(4-carbamimidoylphenyl)propanediamide
CID 142702544
N-(4-carbamimidoylphenyl)acetamide;hydrochloride
CID 171776366
N-[(1S)-1-(4-bromophenyl)ethyl]-N'-(4-carbamimidoylphenyl)-2-(2-phenylethyl)propanediamide
CID 59110641
N-(4-carbamimidoylphenyl)-N'-[1-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]ethyl]propanediamide
CID 59506134
N-(4-carbamimidoylphenyl)-N'-[(1S)-1-[4-(2-hydroxyethoxy)-3-(trifluoromethyl)phenyl]ethyl]propanediamide
CID 59506151
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]acetamide
CID 63678917
N-(4-carbamimidoylphenyl)-2,3,3-trimethylbutanamide
CID 143855441
N-(4-carbamimidoylphenyl)-N'-[1-[4-(3-hydroxypropylamino)-3-(trifluoromethyl)phenyl]ethyl]propanediamide
CID 59506210
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 53279303
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 92684237
2-[[2-[[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8588508
2-[[2-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 9347452

Frequently Asked Questions

What is the IUPAC name of 2-[(4-carbamimidoylphenyl)carbamoyl-hydroxyamino]-N-[1-(4-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(4-carbamimidoylphenyl)carbamoyl-hydroxyamino]-N-[1-(4-methylphenyl)ethyl]acetamide (CID 22713574) is 2-[(4-carbamimidoylphenyl)carbamoyl-hydroxyamino]-N-[1-(4-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4-carbamimidoylphenyl)carbamoyl-hydroxyamino]-N-[1-(4-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4-carbamimidoylphenyl)carbamoyl-hydroxyamino]-N-[1-(4-methylphenyl)ethyl]acetamide is [H]/N=C(\N)c1ccc(NC(=O)N(O)CC(=O)NC(C)c2ccc(C)cc2)cc1.
What is the InChIKey of 2-[(4-carbamimidoylphenyl)carbamoyl-hydroxyamino]-N-[1-(4-methylphenyl)ethyl]acetamide?
The InChIKey is YXGOZOSEKVRVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-12-3-5-14(6-4-12)13(2)22-17(25)11-24(27)19(26)23-16-9-7-15(8-10-16)18(20)21/h3-10,13,27H,11H2,1-2H3,(H3,20,21)(H,22,25)(H,23,26).
What are the key properties of 2-[(4-carbamimidoylphenyl)carbamoyl-hydroxyamino]-N-[1-(4-methylphenyl)ethyl]acetamide?
2-[(4-carbamimidoylphenyl)carbamoyl-hydroxyamino]-N-[1-(4-methylphenyl)ethyl]acetamide has a molecular weight of 369.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-carbamimidoylphenyl)carbamoyl-hydroxyamino]-N-[1-(4-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 22713574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).