propan-2-yl N-(3-methoxybenzoyl)-N'-[(2S)-3-methylbutan-2-yl]carbamimidate

C17H26N2O3 — CID 7288574

IUPACpropan-2-yl N-(3-methoxybenzoyl)-N'-[(2S)-3-methylbutan-2-yl]carbamimidate
SMILESCOc1cccc(C(=O)N/C(=N\[C@@H](C)C(C)C)OC(C)C)c1
InChIInChI=1S/C17H26N2O3/c1-11(2)13(5)18-17(22-12(3)4)19-16(20)14-8-7-9-15(10-14)21-6/h7-13H,1-6H3,(H,18,19,20)/t13-/m0/s1
InChIKeyPDBGDWGVTYVKFH-ZDUSSCGKSA-N
MW306.41 g/mol
LogP3.25
Rot. Bonds5

About propan-2-yl N-(3-methoxybenzoyl)-N'-[(2S)-3-methylbutan-2-yl]carbamimidate

propan-2-yl N-(3-methoxybenzoyl)-N'-[(2S)-3-methylbutan-2-yl]carbamimidate (PubChem CID 7288574) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is propan-2-yl N-(3-methoxybenzoyl)-N'-[(2S)-3-methylbutan-2-yl]carbamimidate.

Molecular Properties

Compound Namepropan-2-yl N-(3-methoxybenzoyl)-N'-[(2S)-3-methylbutan-2-yl]carbamimidate
PubChem CID7288574
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Namepropan-2-yl N-(3-methoxybenzoyl)-N'-[(2S)-3-methylbutan-2-yl]carbamimidate
SMILESCOc1cccc(C(=O)N/C(=N\[C@@H](C)C(C)C)OC(C)C)c1
InChIInChI=1S/C17H26N2O3/c1-11(2)13(5)18-17(22-12(3)4)19-16(20)14-8-7-9-15(10-14)21-6/h7-13H,1-6H3,(H,18,19,20)/t13-/m0/s1
InChIKeyPDBGDWGVTYVKFH-ZDUSSCGKSA-N
XLogP3.25
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze propan-2-yl N-(3-methoxybenzoyl)-N'-[(2S)-3-methylbutan-2-yl]carbamimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl N'-[3-(dimethylamino)propyl]-N-(3-methoxybenzoyl)carbamimidate
CID 7328749
3-methoxy-N-[(2-methyl-1-phenylpropylidene)amino]benzamide
CID 4152734
ethyl N-(3-methoxybenzoyl)-N'-(2-methoxyethyl)carbamimidate
CID 7413412
2-ethoxyethyl N-(3-methoxybenzoyl)-N'-(3-methylbutyl)carbamimidate
CID 7338069
(2S)-2-[(3-methoxybenzoyl)amino]propanoic acid
CID 42254442
N-[4-(1-hydroxyethyl)phenyl]-3-methoxybenzamide
CID 43416663
3-methoxy-N-(1-phenylethylideneamino)benzamide
CID 955694
N-(4-hydroxybutan-2-yl)-3-methoxybenzamide
CID 81041104
3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439
3-methoxy-N-octadecanoylbenzamide
CID 142668969
3-methoxy-N-[3-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]benzamide
CID 1218490
N-(3-butan-2-ylphenyl)-3-methoxybenzamide
CID 139481676

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(3-methoxybenzoyl)-N'-[(2S)-3-methylbutan-2-yl]carbamimidate?
The IUPAC name of propan-2-yl N-(3-methoxybenzoyl)-N'-[(2S)-3-methylbutan-2-yl]carbamimidate (CID 7288574) is propan-2-yl N-(3-methoxybenzoyl)-N'-[(2S)-3-methylbutan-2-yl]carbamimidate.
What is the SMILES notation for propan-2-yl N-(3-methoxybenzoyl)-N'-[(2S)-3-methylbutan-2-yl]carbamimidate?
The canonical SMILES for propan-2-yl N-(3-methoxybenzoyl)-N'-[(2S)-3-methylbutan-2-yl]carbamimidate is COc1cccc(C(=O)N/C(=N\[C@@H](C)C(C)C)OC(C)C)c1.
What is the InChIKey of propan-2-yl N-(3-methoxybenzoyl)-N'-[(2S)-3-methylbutan-2-yl]carbamimidate?
The InChIKey is PDBGDWGVTYVKFH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-11(2)13(5)18-17(22-12(3)4)19-16(20)14-8-7-9-15(10-14)21-6/h7-13H,1-6H3,(H,18,19,20)/t13-/m0/s1.
What are the key properties of propan-2-yl N-(3-methoxybenzoyl)-N'-[(2S)-3-methylbutan-2-yl]carbamimidate?
propan-2-yl N-(3-methoxybenzoyl)-N'-[(2S)-3-methylbutan-2-yl]carbamimidate has a molecular weight of 306.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(3-methoxybenzoyl)-N'-[(2S)-3-methylbutan-2-yl]carbamimidate is sourced from PubChem (CID 7288574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).