N-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide

C20H22N2O — CID 142855177

IUPACN-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide
SMILESC/N=C/c1cc(-c2cc(C(=O)NC3CC3)ccc2C)ccc1C
InChIInChI=1S/C20H22N2O/c1-13-4-6-15(10-17(13)12-21-3)19-11-16(7-5-14(19)2)20(23)22-18-8-9-18/h4-7,10-12,18H,8-9H2,1-3H3,(H,22,23)/b21-12+
InChIKeyFVDMDIQSLXQQAA-CIAFOILYSA-N
MW306.41 g/mol
LogP3.91
Rot. Bonds4

About N-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide

N-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide (PubChem CID 142855177) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide
PubChem CID142855177
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC NameN-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide
SMILESC/N=C/c1cc(-c2cc(C(=O)NC3CC3)ccc2C)ccc1C
InChIInChI=1S/C20H22N2O/c1-13-4-6-15(10-17(13)12-21-3)19-11-16(7-5-14(19)2)20(23)22-18-8-9-18/h4-7,10-12,18H,8-9H2,1-3H3,(H,22,23)/b21-12+
InChIKeyFVDMDIQSLXQQAA-CIAFOILYSA-N
XLogP3.91
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-4-methylbenzamide
CID 156904443
N-cyclopropyl-3-[4-(3-methoxybenzoyl)phenyl]-4-methylbenzamide
CID 142750926
3-[4-(acetamidomethyl)phenyl]-N-cyclopropyl-4-methylbenzamide;azane
CID 142826121
4-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-methylbenzoic acid
CID 91397175
N-cyclopropyl-4-methyl-3-[4-[(4-methylpiperazin-1-yl)carbamoyl]phenyl]benzamide
CID 69315179
N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide
CID 58829322
N-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide
CID 71273125
N-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide
CID 71211058
N-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide
CID 11660998
N-cyclopropyl-3-[3-ethenyl-4-[methyl-(3-phosphanylphenyl)sulfonylamino]phenyl]-4-methylbenzamide
CID 142855150
3-[(3Z,4Z)-4-[(2S)-1-amino-3,3,3-trifluoro-2-methylpropylidene]-3-[(methylideneamino)methylidene]cyclohexa-1,5-dien-1-yl]-N-cyclopropyl-4-methylbenzamide
CID 71120360
3-[1-(4-chlorophenyl)phthalazin-6-yl]-N-cyclopropyl-4-methylbenzamide
CID 11848510

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide (CID 142855177) is N-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide is C/N=C/c1cc(-c2cc(C(=O)NC3CC3)ccc2C)ccc1C.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide?
The InChIKey is FVDMDIQSLXQQAA-CIAFOILYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-13-4-6-15(10-17(13)12-21-3)19-11-16(7-5-14(19)2)20(23)22-18-8-9-18/h4-7,10-12,18H,8-9H2,1-3H3,(H,22,23)/b21-12+.
What are the key properties of N-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide?
N-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide has a molecular weight of 306.41 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[4-methyl-3-(methyliminomethyl)phenyl]benzamide is sourced from PubChem (CID 142855177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).