2-[2-[(2-hydroxybenzoyl)amino]ethoxy]ethyl N-[N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]carbamate

C16H24N6O5 — CID 154044235

IUPAC2-[2-[(2-hydroxybenzoyl)amino]ethoxy]ethyl N-[N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]carbamate
SMILES[H]/N=C(/N=C(N)NC(=O)OCCOCCNC(=O)c1ccccc1O)N(C)C
InChIInChI=1S/C16H24N6O5/c1-22(2)15(18)20-14(17)21-16(25)27-10-9-26-8-7-19-13(24)11-5-3-4-6-12(11)23/h3-6,23H,7-10H2,1-2H3,(H,19,24)(H4,17,18,20,21,25)
InChIKeyIZLOOPZUVAGPHO-UHFFFAOYSA-N
MW380.41 g/mol
LogP-0.32
Rot. Bonds7

About 2-[2-[(2-hydroxybenzoyl)amino]ethoxy]ethyl N-[N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]carbamate

2-[2-[(2-hydroxybenzoyl)amino]ethoxy]ethyl N-[N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]carbamate (PubChem CID 154044235) has the molecular formula C16H24N6O5 and a molecular weight of 380.41 g/mol. Its IUPAC name is 2-[2-[(2-hydroxybenzoyl)amino]ethoxy]ethyl N-[N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]carbamate.

Molecular Properties

Compound Name2-[2-[(2-hydroxybenzoyl)amino]ethoxy]ethyl N-[N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]carbamate
PubChem CID154044235
Molecular FormulaC16H24N6O5
Molecular Weight380.41 g/mol
Exact Mass380.18
IUPAC Name2-[2-[(2-hydroxybenzoyl)amino]ethoxy]ethyl N-[N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]carbamate
SMILES[H]/N=C(/N=C(N)NC(=O)OCCOCCNC(=O)c1ccccc1O)N(C)C
InChIInChI=1S/C16H24N6O5/c1-22(2)15(18)20-14(17)21-16(25)27-10-9-26-8-7-19-13(24)11-5-3-4-6-12(11)23/h3-6,23H,7-10H2,1-2H3,(H,19,24)(H4,17,18,20,21,25)
InChIKeyIZLOOPZUVAGPHO-UHFFFAOYSA-N
XLogP-0.32
TPSA162.36 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 5-0.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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-[(E)-N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]-2-hydroxybenzamide
CID 177429251
benzyl N-[N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]carbamate
CID 173007580
2-hydroxy-N-[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]benzamide
CID 108540085
N-[2-(2-aminoethoxy)ethyl]-2,3-dihydroxybenzamide
CID 114345378
2-chloroethyl N-[2-[(2-hydroxybenzoyl)amino]ethyl]carbamate
CID 108571703
3-(diaminomethylidene)-1,1-dimethylguanidine;2-[2-(2-hydroxybenzoyl)oxybenzoyl]oxybenzoic acid
CID 71471331
ethyl N-(2-hydroxybenzoyl)carbamate
CID 175348381
4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 20641922
2-(dimethylamino)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 110463514
2-hydroxy-N-[2-[(2-methoxybenzoyl)amino]ethyl]benzamide
CID 108538036
N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide
CID 106307317
N-[2-[ethyl(methyl)amino]ethyl]-2-hydroxybenzamide
CID 62634614

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-hydroxybenzoyl)amino]ethoxy]ethyl N-[N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]carbamate?
The IUPAC name of 2-[2-[(2-hydroxybenzoyl)amino]ethoxy]ethyl N-[N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]carbamate (CID 154044235) is 2-[2-[(2-hydroxybenzoyl)amino]ethoxy]ethyl N-[N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]carbamate.
What is the SMILES notation for 2-[2-[(2-hydroxybenzoyl)amino]ethoxy]ethyl N-[N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]carbamate?
The canonical SMILES for 2-[2-[(2-hydroxybenzoyl)amino]ethoxy]ethyl N-[N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]carbamate is [H]/N=C(/N=C(N)NC(=O)OCCOCCNC(=O)c1ccccc1O)N(C)C.
What is the InChIKey of 2-[2-[(2-hydroxybenzoyl)amino]ethoxy]ethyl N-[N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]carbamate?
The InChIKey is IZLOOPZUVAGPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O5/c1-22(2)15(18)20-14(17)21-16(25)27-10-9-26-8-7-19-13(24)11-5-3-4-6-12(11)23/h3-6,23H,7-10H2,1-2H3,(H,19,24)(H4,17,18,20,21,25).
What are the key properties of 2-[2-[(2-hydroxybenzoyl)amino]ethoxy]ethyl N-[N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]carbamate?
2-[2-[(2-hydroxybenzoyl)amino]ethoxy]ethyl N-[N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]carbamate has a molecular weight of 380.41 g/mol, XLogP of -0.32, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-hydroxybenzoyl)amino]ethoxy]ethyl N-[N'-(N,N-dimethylcarbamimidoyl)carbamimidoyl]carbamate is sourced from PubChem (CID 154044235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).