3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide

C20H22N4O3 — CID 54842558

IUPAC3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide
SMILESCc1c(NC(=O)CNc2cccc(C(N)=O)c2)cccc1NC(=O)C1CC1
InChIInChI=1S/C20H22N4O3/c1-12-16(6-3-7-17(12)24-20(27)13-8-9-13)23-18(25)11-22-15-5-2-4-14(10-15)19(21)26/h2-7,10,13,22H,8-9,11H2,1H3,(H2,21,26)(H,23,25)(H,24,27)
InChIKeyHSKOPZXBJWIJSI-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.49
Rot. Bonds7

About 3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide

3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide (PubChem CID 54842558) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide
PubChem CID54842558
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide
SMILESCc1c(NC(=O)CNc2cccc(C(N)=O)c2)cccc1NC(=O)C1CC1
InChIInChI=1S/C20H22N4O3/c1-12-16(6-3-7-17(12)24-20(27)13-8-9-13)23-18(25)11-22-15-5-2-4-14(10-15)19(21)26/h2-7,10,13,22H,8-9,11H2,1H3,(H2,21,26)(H,23,25)(H,24,27)
InChIKeyHSKOPZXBJWIJSI-UHFFFAOYSA-N
XLogP2.49
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 54841043
N-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide
CID 54845223
2-[[2-(3-carbamoylanilino)acetyl]amino]benzamide
CID 54842453
3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 54845419
N-[3-[[2-(2,3-dichloroanilino)acetyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54815961
N-[2-methyl-3-[[2-[4-(piperidine-1-carbonyl)anilino]acetyl]amino]phenyl]cyclopropanecarboxamide
CID 54841571
N-[2-methyl-3-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]cyclopropanecarboxamide
CID 54844663
3-[[2-(2-bromoanilino)-2-oxoethyl]amino]benzamide
CID 54842256
3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54842326
3-[[2-oxo-2-(2-propan-2-ylanilino)ethyl]amino]benzamide
CID 54842293
N-[2-methyl-3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]cyclopropanecarboxamide
CID 54845201
N-[3-[[2-(4-iodoanilino)-2-oxoethyl]amino]-2-methylphenyl]cyclopropanecarboxamide
CID 54844717

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of 3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide (CID 54842558) is 3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for 3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide is Cc1c(NC(=O)CNc2cccc(C(N)=O)c2)cccc1NC(=O)C1CC1.
What is the InChIKey of 3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide?
The InChIKey is HSKOPZXBJWIJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-12-16(6-3-7-17(12)24-20(27)13-8-9-13)23-18(25)11-22-15-5-2-4-14(10-15)19(21)26/h2-7,10,13,22H,8-9,11H2,1H3,(H2,21,26)(H,23,25)(H,24,27).
What are the key properties of 3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide?
3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide has a molecular weight of 366.42 g/mol, XLogP of 2.49, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54842558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).