N-[2-[2-[(4-carbamimidoylbenzoyl)amino]ethoxy]ethyl]-4-ethanimidoylbenzamide

C21H25N5O3 — CID 142215662

IUPACN-[2-[2-[(4-carbamimidoylbenzoyl)amino]ethoxy]ethyl]-4-ethanimidoylbenzamide
SMILES[H]/N=C(\N)c1ccc(C(=O)NCCOCCNC(=O)c2ccc(/C(C)=N/[H])cc2)cc1
InChIInChI=1S/C21H25N5O3/c1-14(22)15-2-6-17(7-3-15)20(27)25-10-12-29-13-11-26-21(28)18-8-4-16(5-9-18)19(23)24/h2-9,22H,10-13H2,1H3,(H3,23,24)(H,25,27)(H,26,28)/b22-14+
InChIKeyYXDYUIKLOXXWBU-HYARGMPZSA-N
MW395.46 g/mol
LogP1.53
Rot. Bonds10

About N-[2-[2-[(4-carbamimidoylbenzoyl)amino]ethoxy]ethyl]-4-ethanimidoylbenzamide

N-[2-[2-[(4-carbamimidoylbenzoyl)amino]ethoxy]ethyl]-4-ethanimidoylbenzamide (PubChem CID 142215662) has the molecular formula C21H25N5O3 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-[2-[2-[(4-carbamimidoylbenzoyl)amino]ethoxy]ethyl]-4-ethanimidoylbenzamide.

Molecular Properties

Compound NameN-[2-[2-[(4-carbamimidoylbenzoyl)amino]ethoxy]ethyl]-4-ethanimidoylbenzamide
PubChem CID142215662
Molecular FormulaC21H25N5O3
Molecular Weight395.46 g/mol
Exact Mass395.20
IUPAC NameN-[2-[2-[(4-carbamimidoylbenzoyl)amino]ethoxy]ethyl]-4-ethanimidoylbenzamide
SMILES[H]/N=C(\N)c1ccc(C(=O)NCCOCCNC(=O)c2ccc(/C(C)=N/[H])cc2)cc1
InChIInChI=1S/C21H25N5O3/c1-14(22)15-2-6-17(7-3-15)20(27)25-10-12-29-13-11-26-21(28)18-8-4-16(5-9-18)19(23)24/h2-9,22H,10-13H2,1H3,(H3,23,24)(H,25,27)(H,26,28)/b22-14+
InChIKeyYXDYUIKLOXXWBU-HYARGMPZSA-N
XLogP1.53
TPSA141.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 51.53
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-4-[oxo(phenyl)acetyl]benzamide
CID 1568335
3-Carbamimidoyl-N-[(R)-(4-methyl-benzylcarbamoyl)-phenyl-methyl]-benzamide
CID 44376756
Biphenyl-4-carboxylic acid [3-(3-carbamimidoyl-phenyl)-propyl]-amide
CID 44310725
4-[[(4-carbamimidoylbenzoyl)amino]methyl]-N-(3,3-diphenylpropyl)benzamide
CID 44314160
Bz-Phe(4-amidino)-Lys-Phg-NH2
CID 122193291
(S)-N-(1-Amino-1-iminopropan-2-yl)-4-octylbenzamide Hydrochloride
CID 46197324
4-carbamimidoyl-N-[6-[(4-carbamimidoylbenzoyl)amino]hexyl]benzamide;dihydrochloride
CID 57403949
4-[(4-benzyl-1-piperidinyl)methyl]-N-(2-methoxyethyl)benzamide
CID 2891227
N-[(2R)-1-amino-1-iminopropan-2-yl]-4-octylbenzamide;hydrochloride
CID 46197440
4-carbamimidoyl-N-[3-[(4-carbamimidoylbenzoyl)amino]propyl]benzamide;dihydrochloride
CID 57398731
4-carbamimidoyl-N-[4-[(4-carbamimidoylbenzoyl)amino]butyl]benzamide;dihydrochloride
CID 57402191
N-(4-morpholin-4-ylbutyl)-4-phenylbenzamide
CID 118708569

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[(4-carbamimidoylbenzoyl)amino]ethoxy]ethyl]-4-ethanimidoylbenzamide?
The IUPAC name of N-[2-[2-[(4-carbamimidoylbenzoyl)amino]ethoxy]ethyl]-4-ethanimidoylbenzamide (CID 142215662) is N-[2-[2-[(4-carbamimidoylbenzoyl)amino]ethoxy]ethyl]-4-ethanimidoylbenzamide.
What is the SMILES notation for N-[2-[2-[(4-carbamimidoylbenzoyl)amino]ethoxy]ethyl]-4-ethanimidoylbenzamide?
The canonical SMILES for N-[2-[2-[(4-carbamimidoylbenzoyl)amino]ethoxy]ethyl]-4-ethanimidoylbenzamide is [H]/N=C(\N)c1ccc(C(=O)NCCOCCNC(=O)c2ccc(/C(C)=N/[H])cc2)cc1.
What is the InChIKey of N-[2-[2-[(4-carbamimidoylbenzoyl)amino]ethoxy]ethyl]-4-ethanimidoylbenzamide?
The InChIKey is YXDYUIKLOXXWBU-HYARGMPZSA-N. The full InChI is InChI=1S/C21H25N5O3/c1-14(22)15-2-6-17(7-3-15)20(27)25-10-12-29-13-11-26-21(28)18-8-4-16(5-9-18)19(23)24/h2-9,22H,10-13H2,1H3,(H3,23,24)(H,25,27)(H,26,28)/b22-14+.
What are the key properties of N-[2-[2-[(4-carbamimidoylbenzoyl)amino]ethoxy]ethyl]-4-ethanimidoylbenzamide?
N-[2-[2-[(4-carbamimidoylbenzoyl)amino]ethoxy]ethyl]-4-ethanimidoylbenzamide has a molecular weight of 395.46 g/mol, XLogP of 1.53, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[(4-carbamimidoylbenzoyl)amino]ethoxy]ethyl]-4-ethanimidoylbenzamide is sourced from PubChem (CID 142215662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).