ethyl N-(3-methoxybenzoyl)-N'-(2-methoxyethyl)carbamimidate

C14H20N2O4 — CID 7413412

IUPACethyl N-(3-methoxybenzoyl)-N'-(2-methoxyethyl)carbamimidate
SMILESCCO/C(=N\CCOC)NC(=O)c1cccc(OC)c1
InChIInChI=1S/C14H20N2O4/c1-4-20-14(15-8-9-18-2)16-13(17)11-6-5-7-12(10-11)19-3/h5-7,10H,4,8-9H2,1-3H3,(H,15,16,17)
InChIKeyNSLLKZVSDMSCNY-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.46
Rot. Bonds6

About ethyl N-(3-methoxybenzoyl)-N'-(2-methoxyethyl)carbamimidate

ethyl N-(3-methoxybenzoyl)-N'-(2-methoxyethyl)carbamimidate (PubChem CID 7413412) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is ethyl N-(3-methoxybenzoyl)-N'-(2-methoxyethyl)carbamimidate.

Molecular Properties

Compound Nameethyl N-(3-methoxybenzoyl)-N'-(2-methoxyethyl)carbamimidate
PubChem CID7413412
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Nameethyl N-(3-methoxybenzoyl)-N'-(2-methoxyethyl)carbamimidate
SMILESCCO/C(=N\CCOC)NC(=O)c1cccc(OC)c1
InChIInChI=1S/C14H20N2O4/c1-4-20-14(15-8-9-18-2)16-13(17)11-6-5-7-12(10-11)19-3/h5-7,10H,4,8-9H2,1-3H3,(H,15,16,17)
InChIKeyNSLLKZVSDMSCNY-UHFFFAOYSA-N
XLogP1.46
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
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

ethyl N-(3-methoxybenzoyl)-N'-(2-pyrrolidin-1-ium-1-ylethyl)carbamimidate
CID 7364918
2-ethoxyethyl N-(3-methoxybenzoyl)-N'-(3-methylbutyl)carbamimidate
CID 7338069
ethyl N-(3-methoxybenzoyl)-N'-(pyridin-3-ylmethyl)carbamimidate
CID 7212555
2-methoxyethyl N-(3-methoxybenzoyl)-N'-(2-piperidin-1-ylethyl)carbamimidate
CID 7338693
propan-2-yl N'-[3-(dimethylamino)propyl]-N-(3-methoxybenzoyl)carbamimidate
CID 7328749
propan-2-yl N-(3-methoxybenzoyl)-N'-[(2S)-3-methylbutan-2-yl]carbamimidate
CID 7288574
ethyl 4-[(3-methoxybenzoyl)carbamothioylamino]benzoate
CID 1018527
N-(N'-butyl-N-phenylcarbamimidoyl)-3-methoxybenzamide
CID 11438762
ethyl N'-(2-pyrrolidin-1-ium-1-ylethyl)-N-[3-(trifluoromethyl)benzoyl]carbamimidate
CID 7231300
3-methoxy-N-octadecanoylbenzamide
CID 142668969
2-methoxyethyl N-(3,4-dichlorobenzoyl)-N'-propylcarbamimidate
CID 7493286
N-[2-[(N'-butylcarbamimidoyl)amino]ethyl]-3-methoxybenzamide
CID 111043016

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-methoxybenzoyl)-N'-(2-methoxyethyl)carbamimidate?
The IUPAC name of ethyl N-(3-methoxybenzoyl)-N'-(2-methoxyethyl)carbamimidate (CID 7413412) is ethyl N-(3-methoxybenzoyl)-N'-(2-methoxyethyl)carbamimidate.
What is the SMILES notation for ethyl N-(3-methoxybenzoyl)-N'-(2-methoxyethyl)carbamimidate?
The canonical SMILES for ethyl N-(3-methoxybenzoyl)-N'-(2-methoxyethyl)carbamimidate is CCO/C(=N\CCOC)NC(=O)c1cccc(OC)c1.
What is the InChIKey of ethyl N-(3-methoxybenzoyl)-N'-(2-methoxyethyl)carbamimidate?
The InChIKey is NSLLKZVSDMSCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-20-14(15-8-9-18-2)16-13(17)11-6-5-7-12(10-11)19-3/h5-7,10H,4,8-9H2,1-3H3,(H,15,16,17).
What are the key properties of ethyl N-(3-methoxybenzoyl)-N'-(2-methoxyethyl)carbamimidate?
ethyl N-(3-methoxybenzoyl)-N'-(2-methoxyethyl)carbamimidate has a molecular weight of 280.32 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-methoxybenzoyl)-N'-(2-methoxyethyl)carbamimidate is sourced from PubChem (CID 7413412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).