propan-2-yl N'-[2-(dimethylamino)ethyl]-N-(4-methoxybenzoyl)carbamimidate

C16H25N3O3 — CID 7482397

IUPACpropan-2-yl N'-[2-(dimethylamino)ethyl]-N-(4-methoxybenzoyl)carbamimidate
SMILESCOc1ccc(C(=O)N/C(=N/CCN(C)C)OC(C)C)cc1
InChIInChI=1S/C16H25N3O3/c1-12(2)22-16(17-10-11-19(3)4)18-15(20)13-6-8-14(21-5)9-7-13/h6-9,12H,10-11H2,1-5H3,(H,17,18,20)
InChIKeyLRMWIRYKMOVZLR-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.77
Rot. Bonds6

About propan-2-yl N'-[2-(dimethylamino)ethyl]-N-(4-methoxybenzoyl)carbamimidate

propan-2-yl N'-[2-(dimethylamino)ethyl]-N-(4-methoxybenzoyl)carbamimidate (PubChem CID 7482397) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is propan-2-yl N'-[2-(dimethylamino)ethyl]-N-(4-methoxybenzoyl)carbamimidate.

Molecular Properties

Compound Namepropan-2-yl N'-[2-(dimethylamino)ethyl]-N-(4-methoxybenzoyl)carbamimidate
PubChem CID7482397
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Namepropan-2-yl N'-[2-(dimethylamino)ethyl]-N-(4-methoxybenzoyl)carbamimidate
SMILESCOc1ccc(C(=O)N/C(=N/CCN(C)C)OC(C)C)cc1
InChIInChI=1S/C16H25N3O3/c1-12(2)22-16(17-10-11-19(3)4)18-15(20)13-6-8-14(21-5)9-7-13/h6-9,12H,10-11H2,1-5H3,(H,17,18,20)
InChIKeyLRMWIRYKMOVZLR-UHFFFAOYSA-N
XLogP1.77
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl N'-[3-(dimethylamino)propyl]-N-(3-methoxybenzoyl)carbamimidate
CID 7328749
methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate
CID 135591078
methyl N'-hydroxy-N-(4-methoxybenzoyl)carbamimidate
CID 135474620
2-methoxyethyl N-(4-methoxybenzoyl)-N'-(2-pyrrolidin-1-ium-1-ylethyl)carbamimidate
CID 7226715
1-N-[2-(dimethylamino)ethyl]-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109045807
ethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(4-methoxybenzoyl)carbamimidate
CID 7419564
methyl N-(4-methoxybenzoyl)carbamate
CID 10420604
N-(dipropylcarbamothioyl)-4-methoxybenzamide
CID 2223274
N-[2-[acetyl(propan-2-yl)amino]ethyl]-4-methoxybenzamide
CID 113051986
3-[[2-ethoxyethoxy-[(4-methoxybenzoyl)amino]methylidene]amino]propyl-dimethylazanium
CID 7271327
N-[2-[[N'-[2-[di(propan-2-yl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]-4-methoxybenzamide;hydroiodide
CID 111247194
2-ethoxyethyl N-(4-methoxybenzoyl)-N'-[(1S)-1-phenylethyl]carbamimidate
CID 7296851

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N'-[2-(dimethylamino)ethyl]-N-(4-methoxybenzoyl)carbamimidate?
The IUPAC name of propan-2-yl N'-[2-(dimethylamino)ethyl]-N-(4-methoxybenzoyl)carbamimidate (CID 7482397) is propan-2-yl N'-[2-(dimethylamino)ethyl]-N-(4-methoxybenzoyl)carbamimidate.
What is the SMILES notation for propan-2-yl N'-[2-(dimethylamino)ethyl]-N-(4-methoxybenzoyl)carbamimidate?
The canonical SMILES for propan-2-yl N'-[2-(dimethylamino)ethyl]-N-(4-methoxybenzoyl)carbamimidate is COc1ccc(C(=O)N/C(=N/CCN(C)C)OC(C)C)cc1.
What is the InChIKey of propan-2-yl N'-[2-(dimethylamino)ethyl]-N-(4-methoxybenzoyl)carbamimidate?
The InChIKey is LRMWIRYKMOVZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-12(2)22-16(17-10-11-19(3)4)18-15(20)13-6-8-14(21-5)9-7-13/h6-9,12H,10-11H2,1-5H3,(H,17,18,20).
What are the key properties of propan-2-yl N'-[2-(dimethylamino)ethyl]-N-(4-methoxybenzoyl)carbamimidate?
propan-2-yl N'-[2-(dimethylamino)ethyl]-N-(4-methoxybenzoyl)carbamimidate has a molecular weight of 307.39 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N'-[2-(dimethylamino)ethyl]-N-(4-methoxybenzoyl)carbamimidate is sourced from PubChem (CID 7482397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).