2-[[2-[1-cyclopropylethyl(methyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide

C22H27N3O2 — CID 47020960

IUPAC2-[[2-[1-cyclopropylethyl(methyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)CN(C)C(C)C2CC2)c1
InChIInChI=1S/C22H27N3O2/c1-15-7-6-8-18(13-15)23-22(27)19-9-4-5-10-20(19)24-21(26)14-25(3)16(2)17-11-12-17/h4-10,13,16-17H,11-12,14H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyXBVRVWDZSKMZDI-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.92
Rot. Bonds7

About 2-[[2-[1-cyclopropylethyl(methyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide

2-[[2-[1-cyclopropylethyl(methyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide (PubChem CID 47020960) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[[2-[1-cyclopropylethyl(methyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name2-[[2-[1-cyclopropylethyl(methyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide
PubChem CID47020960
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-[[2-[1-cyclopropylethyl(methyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide
SMILESCc1cccc(NC(=O)c2ccccc2NC(=O)CN(C)C(C)C2CC2)c1
InChIInChI=1S/C22H27N3O2/c1-15-7-6-8-18(13-15)23-22(27)19-9-4-5-10-20(19)24-21(26)14-25(3)16(2)17-11-12-17/h4-10,13,16-17H,11-12,14H2,1-3H3,(H,23,27)(H,24,26)
InChIKeyXBVRVWDZSKMZDI-UHFFFAOYSA-N
XLogP3.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8914883
2-[[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 55411601
2-[[2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 25485284
2-[[2-[methyl-[(3-methylthiophen-2-yl)methyl]amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8804593
2-[[2-[2-hydroxyethyl(2-phenylethyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide
CID 86942994
2-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)benzamide
CID 29448368
[2-[2-[(3-methylphenyl)carbamoyl]anilino]-2-oxoethyl] 4-oxopentanoate
CID 9199226
N-(5-amino-2-methylphenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
CID 43568692
2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 8874197
N-(3-methylphenyl)-2-(naphthalen-1-ylcarbamoylamino)benzamide
CID 2223034
N-(3-methylphenyl)-2-(propylamino)benzamide
CID 62171242
2-[[2-(2-ethoxyanilino)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 30568013

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-cyclopropylethyl(methyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide?
The IUPAC name of 2-[[2-[1-cyclopropylethyl(methyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide (CID 47020960) is 2-[[2-[1-cyclopropylethyl(methyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 2-[[2-[1-cyclopropylethyl(methyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide?
The canonical SMILES for 2-[[2-[1-cyclopropylethyl(methyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide is Cc1cccc(NC(=O)c2ccccc2NC(=O)CN(C)C(C)C2CC2)c1.
What is the InChIKey of 2-[[2-[1-cyclopropylethyl(methyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide?
The InChIKey is XBVRVWDZSKMZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15-7-6-8-18(13-15)23-22(27)19-9-4-5-10-20(19)24-21(26)14-25(3)16(2)17-11-12-17/h4-10,13,16-17H,11-12,14H2,1-3H3,(H,23,27)(H,24,26).
What are the key properties of 2-[[2-[1-cyclopropylethyl(methyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide?
2-[[2-[1-cyclopropylethyl(methyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide has a molecular weight of 365.48 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-cyclopropylethyl(methyl)amino]acetyl]amino]-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 47020960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).