3-(4-carbamimidoylphenyl)-N-[2-(2-methoxyethoxy)ethyl]-2-oxopropanamide

C15H21N3O4 — CID 134379656

IUPAC3-(4-carbamimidoylphenyl)-N-[2-(2-methoxyethoxy)ethyl]-2-oxopropanamide
SMILES[H]/N=C(\N)c1ccc(CC(=O)C(=O)NCCOCCOC)cc1
InChIInChI=1S/C15H21N3O4/c1-21-8-9-22-7-6-18-15(20)13(19)10-11-2-4-12(5-3-11)14(16)17/h2-5H,6-10H2,1H3,(H3,16,17)(H,18,20)
InChIKeyHXCOIZMTVITISJ-UHFFFAOYSA-N
MW307.35 g/mol
LogP-0.14
Rot. Bonds10

About 3-(4-carbamimidoylphenyl)-N-[2-(2-methoxyethoxy)ethyl]-2-oxopropanamide

3-(4-carbamimidoylphenyl)-N-[2-(2-methoxyethoxy)ethyl]-2-oxopropanamide (PubChem CID 134379656) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3-(4-carbamimidoylphenyl)-N-[2-(2-methoxyethoxy)ethyl]-2-oxopropanamide.

Molecular Properties

Compound Name3-(4-carbamimidoylphenyl)-N-[2-(2-methoxyethoxy)ethyl]-2-oxopropanamide
PubChem CID134379656
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Name3-(4-carbamimidoylphenyl)-N-[2-(2-methoxyethoxy)ethyl]-2-oxopropanamide
SMILES[H]/N=C(\N)c1ccc(CC(=O)C(=O)NCCOCCOC)cc1
InChIInChI=1S/C15H21N3O4/c1-21-8-9-22-7-6-18-15(20)13(19)10-11-2-4-12(5-3-11)14(16)17/h2-5H,6-10H2,1H3,(H3,16,17)(H,18,20)
InChIKeyHXCOIZMTVITISJ-UHFFFAOYSA-N
XLogP-0.14
TPSA114.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 20641922
N-[2-[2-[(4-carbamimidoylbenzoyl)amino]ethoxy]ethyl]-4-ethanimidoylbenzamide
CID 142215662
4-[3-(4-carbamimidoylphenyl)-2-oxopropyl]benzenecarboximidamide
CID 153102323
2-[4-(N'-hydroxycarbamimidoyl)phenyl]-N-(2-methoxyethyl)acetamide
CID 77001315
4-[[[(E)-4-oxo-5-phenylpent-2-en-3-yl]amino]methyl]benzenecarboximidamide
CID 91469012
methyl 3-(4-carbamimidoylphenyl)propanoate;hydrochloride
CID 19376397
2-acetamido-N-[(4-carbamimidoylphenyl)methyl]acetamide
CID 70335688
(2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[2,6-difluoro-3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]-2-ethoxyacetamide
CID 69290681
1-[(4-carbamimidoylphenyl)methyl]-1-methoxyurea
CID 91049335
acetic acid;4-[(4-methoxyphenyl)methoxymethyl]benzenecarboximidamide
CID 75537360
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]benzamide
CID 104561439
4-[2-(2-methoxyethoxy)ethoxy]-3-(trifluoromethyl)benzenecarboximidamide
CID 115468146

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamimidoylphenyl)-N-[2-(2-methoxyethoxy)ethyl]-2-oxopropanamide?
The IUPAC name of 3-(4-carbamimidoylphenyl)-N-[2-(2-methoxyethoxy)ethyl]-2-oxopropanamide (CID 134379656) is 3-(4-carbamimidoylphenyl)-N-[2-(2-methoxyethoxy)ethyl]-2-oxopropanamide.
What is the SMILES notation for 3-(4-carbamimidoylphenyl)-N-[2-(2-methoxyethoxy)ethyl]-2-oxopropanamide?
The canonical SMILES for 3-(4-carbamimidoylphenyl)-N-[2-(2-methoxyethoxy)ethyl]-2-oxopropanamide is [H]/N=C(\N)c1ccc(CC(=O)C(=O)NCCOCCOC)cc1.
What is the InChIKey of 3-(4-carbamimidoylphenyl)-N-[2-(2-methoxyethoxy)ethyl]-2-oxopropanamide?
The InChIKey is HXCOIZMTVITISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-21-8-9-22-7-6-18-15(20)13(19)10-11-2-4-12(5-3-11)14(16)17/h2-5H,6-10H2,1H3,(H3,16,17)(H,18,20).
What are the key properties of 3-(4-carbamimidoylphenyl)-N-[2-(2-methoxyethoxy)ethyl]-2-oxopropanamide?
3-(4-carbamimidoylphenyl)-N-[2-(2-methoxyethoxy)ethyl]-2-oxopropanamide has a molecular weight of 307.35 g/mol, XLogP of -0.14, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamimidoylphenyl)-N-[2-(2-methoxyethoxy)ethyl]-2-oxopropanamide is sourced from PubChem (CID 134379656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).