3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide

C12H18N4O3 — CID 83108291

IUPAC3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide
SMILESCCOc1cc(N)cc(C(=O)NCCNC(N)=O)c1
InChIInChI=1S/C12H18N4O3/c1-2-19-10-6-8(5-9(13)7-10)11(17)15-3-4-16-12(14)18/h5-7H,2-4,13H2,1H3,(H,15,17)(H3,14,16,18)
InChIKeySJBDDHLOOHZJLY-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.07
Rot. Bonds6

About 3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide

3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide (PubChem CID 83108291) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide.

Molecular Properties

Compound Name3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide
PubChem CID83108291
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide
SMILESCCOc1cc(N)cc(C(=O)NCCNC(N)=O)c1
InChIInChI=1S/C12H18N4O3/c1-2-19-10-6-8(5-9(13)7-10)11(17)15-3-4-16-12(14)18/h5-7H,2-4,13H2,1H3,(H,15,17)(H3,14,16,18)
InChIKeySJBDDHLOOHZJLY-UHFFFAOYSA-N
XLogP0.07
TPSA119.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81090063
3-amino-5-ethoxy-N-(3-hydroxybutyl)benzamide
CID 81091443
2-[(3-amino-5-ethoxybenzoyl)amino]acetic acid
CID 114263436
3-amino-5-ethoxy-N-(2-thiophen-2-ylethyl)benzamide
CID 81090055
3-amino-5-ethoxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 102903247
3-amino-5-ethoxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 81089888
3-amino-N-(cyclopentylmethyl)-5-ethoxybenzamide
CID 81090073
methyl 2-[(3-amino-5-ethoxybenzoyl)amino]propanoate
CID 81090097
3-amino-N-[2-(5-chlorothiophen-2-yl)ethyl]-5-ethoxybenzamide
CID 106033344
methyl 3-amino-5-ethoxybenzoate
CID 45089063
3-amino-5-ethoxy-N-pentan-3-ylbenzamide
CID 81090876
3-amino-5-ethoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413376

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide?
The IUPAC name of 3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide (CID 83108291) is 3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide.
What is the SMILES notation for 3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide?
The canonical SMILES for 3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide is CCOc1cc(N)cc(C(=O)NCCNC(N)=O)c1.
What is the InChIKey of 3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide?
The InChIKey is SJBDDHLOOHZJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-19-10-6-8(5-9(13)7-10)11(17)15-3-4-16-12(14)18/h5-7H,2-4,13H2,1H3,(H,15,17)(H3,14,16,18).
What are the key properties of 3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide?
3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide has a molecular weight of 266.30 g/mol, XLogP of 0.07, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(carbamoylamino)ethyl]-5-ethoxybenzamide is sourced from PubChem (CID 83108291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).