2-methylpropyl N'-butan-2-yl-N-(3-methylbenzoyl)carbamimidate

C17H26N2O2 — CID 46126214

IUPAC2-methylpropyl N'-butan-2-yl-N-(3-methylbenzoyl)carbamimidate
SMILESCCC(C)/N=C(/NC(=O)c1cccc(C)c1)OCC(C)C
InChIInChI=1S/C17H26N2O2/c1-6-14(5)18-17(21-11-12(2)3)19-16(20)15-9-7-8-13(4)10-15/h7-10,12,14H,6,11H2,1-5H3,(H,18,19,20)
InChIKeySZGAMEFDTVOFCT-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.55
Rot. Bonds5

About 2-methylpropyl N'-butan-2-yl-N-(3-methylbenzoyl)carbamimidate

2-methylpropyl N'-butan-2-yl-N-(3-methylbenzoyl)carbamimidate (PubChem CID 46126214) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-methylpropyl N'-butan-2-yl-N-(3-methylbenzoyl)carbamimidate.

Molecular Properties

Compound Name2-methylpropyl N'-butan-2-yl-N-(3-methylbenzoyl)carbamimidate
PubChem CID46126214
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-methylpropyl N'-butan-2-yl-N-(3-methylbenzoyl)carbamimidate
SMILESCCC(C)/N=C(/NC(=O)c1cccc(C)c1)OCC(C)C
InChIInChI=1S/C17H26N2O2/c1-6-14(5)18-17(21-11-12(2)3)19-16(20)15-9-7-8-13(4)10-15/h7-10,12,14H,6,11H2,1-5H3,(H,18,19,20)
InChIKeySZGAMEFDTVOFCT-UHFFFAOYSA-N
XLogP3.55
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-methoxyethyl N'-[2-(3,4-dimethoxyphenyl)ethyl]-N-(3-methylbenzoyl)carbamimidate
CID 3973914
3-methyl-N-(2-methylpropyl)benzamide
CID 835315
ethyl (2S)-2-ethyl-3-[(3-methylbenzoyl)hydrazinylidene]butanoate
CID 7104050
ethyl (3Z)-2-ethyl-3-[(3-methylbenzoyl)hydrazinylidene]butanoate
CID 6054754
ethyl N'-[(2S)-3-methylbutan-2-yl]-N-[3-(trifluoromethyl)benzoyl]carbamimidate
CID 7238521
3-methyl-N-[(3-methyl-1-phenylbutylidene)amino]benzamide
CID 5191997
methyl 2-[(3-methylbenzoyl)amino]prop-2-enoate
CID 123522259
[2-[4-(2-methylpropoxycarbonyl)anilino]-2-oxoethyl] 3-methylbenzoate
CID 9067753
3-methyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079530
[(4S)-4-[[ethoxy-[[3-(trifluoromethyl)benzoyl]amino]methylidene]amino]pentyl]-diethylazanium
CID 7495264
N-(2-aminopropyl)-3-methylbenzamide
CID 63733332
2-ethoxyethyl N'-butan-2-yl-N-[4-(trifluoromethyl)benzoyl]carbamimidate
CID 42665456

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N'-butan-2-yl-N-(3-methylbenzoyl)carbamimidate?
The IUPAC name of 2-methylpropyl N'-butan-2-yl-N-(3-methylbenzoyl)carbamimidate (CID 46126214) is 2-methylpropyl N'-butan-2-yl-N-(3-methylbenzoyl)carbamimidate.
What is the SMILES notation for 2-methylpropyl N'-butan-2-yl-N-(3-methylbenzoyl)carbamimidate?
The canonical SMILES for 2-methylpropyl N'-butan-2-yl-N-(3-methylbenzoyl)carbamimidate is CCC(C)/N=C(/NC(=O)c1cccc(C)c1)OCC(C)C.
What is the InChIKey of 2-methylpropyl N'-butan-2-yl-N-(3-methylbenzoyl)carbamimidate?
The InChIKey is SZGAMEFDTVOFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-6-14(5)18-17(21-11-12(2)3)19-16(20)15-9-7-8-13(4)10-15/h7-10,12,14H,6,11H2,1-5H3,(H,18,19,20).
What are the key properties of 2-methylpropyl N'-butan-2-yl-N-(3-methylbenzoyl)carbamimidate?
2-methylpropyl N'-butan-2-yl-N-(3-methylbenzoyl)carbamimidate has a molecular weight of 290.41 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N'-butan-2-yl-N-(3-methylbenzoyl)carbamimidate is sourced from PubChem (CID 46126214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).