N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide

C10H13N3O3 — CID 83120683

IUPACN-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide
SMILESNC(=O)NCCNC(=O)c1cccc(O)c1
InChIInChI=1S/C10H13N3O3/c11-10(16)13-5-4-12-9(15)7-2-1-3-8(14)6-7/h1-3,6,14H,4-5H2,(H,12,15)(H3,11,13,16)
InChIKeyBLNNCNBVFVGQEW-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.21
Rot. Bonds4

About N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide

N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide (PubChem CID 83120683) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide.

Molecular Properties

Compound NameN-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide
PubChem CID83120683
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC NameN-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide
SMILESNC(=O)NCCNC(=O)c1cccc(O)c1
InChIInChI=1S/C10H13N3O3/c11-10(16)13-5-4-12-9(15)7-2-1-3-8(14)6-7/h1-3,6,14H,4-5H2,(H,12,15)(H3,11,13,16)
InChIKeyBLNNCNBVFVGQEW-UHFFFAOYSA-N
XLogP-0.21
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-3-hydroxybenzamide
CID 114307478
3-[(3-hydroxybenzoyl)amino]propanoic acid
CID 16773120
N-[2-(carbamoylamino)ethyl]-3-cyanobenzamide
CID 78993904
N-[2-(carbamoylamino)ethyl]-3-(pentafluoro-λ6-sulfanyl)benzamide
CID 166386054
2-[(3-hydroxybenzoyl)amino]ethanesulfonic acid
CID 155758744
N-ethyl-3-hydroxybenzamide
CID 13175248
N-[2-(2-aminoethoxy)ethyl]-3-hydroxybenzamide
CID 63754284
3-hydroxy-N-octylbenzamide
CID 115568584
[3-[2-[(3-hydroxybenzoyl)amino]ethylcarbamoyl]phenyl] acetate
CID 108537519
2-hydroxy-N-[3-[(3-hydroxybenzoyl)amino]propyl]benzamide
CID 51105782
N-[2-[(4-bromophenyl)sulfonylamino]ethyl]-3-hydroxybenzamide
CID 108575028
N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-hydroxybenzamide
CID 108540575

Frequently Asked Questions

What is the IUPAC name of N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide?
The IUPAC name of N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide (CID 83120683) is N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide.
What is the SMILES notation for N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide?
The canonical SMILES for N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide is NC(=O)NCCNC(=O)c1cccc(O)c1.
What is the InChIKey of N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide?
The InChIKey is BLNNCNBVFVGQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c11-10(16)13-5-4-12-9(15)7-2-1-3-8(14)6-7/h1-3,6,14H,4-5H2,(H,12,15)(H3,11,13,16).
What are the key properties of N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide?
N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide has a molecular weight of 223.23 g/mol, XLogP of -0.21, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(carbamoylamino)ethyl]-3-hydroxybenzamide is sourced from PubChem (CID 83120683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).