N-[3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethyl]amino]-4-methylphenyl]benzamide

C27H28N4O3 — CID 52703680

IUPACN-[3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethyl]amino]-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1NCC(=O)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C27H28N4O3/c1-18-10-13-23(31-26(33)20-7-3-2-4-8-20)15-24(18)28-17-25(32)29-16-19-6-5-9-22(14-19)30-27(34)21-11-12-21/h2-10,13-15,21,28H,11-12,16-17H2,1H3,(H,29,32)(H,30,34)(H,31,33)
InChIKeyDYENNNTZTBGSBD-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.32
Rot. Bonds9

About N-[3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethyl]amino]-4-methylphenyl]benzamide

N-[3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethyl]amino]-4-methylphenyl]benzamide (PubChem CID 52703680) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is N-[3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethyl]amino]-4-methylphenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethyl]amino]-4-methylphenyl]benzamide
PubChem CID52703680
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC NameN-[3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethyl]amino]-4-methylphenyl]benzamide
SMILESCc1ccc(NC(=O)c2ccccc2)cc1NCC(=O)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C27H28N4O3/c1-18-10-13-23(31-26(33)20-7-3-2-4-8-20)15-24(18)28-17-25(32)29-16-19-6-5-9-22(14-19)30-27(34)21-11-12-21/h2-10,13-15,21,28H,11-12,16-17H2,1H3,(H,29,32)(H,30,34)(H,31,33)
InChIKeyDYENNNTZTBGSBD-UHFFFAOYSA-N
XLogP4.32
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[2-(3-ethylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55896924
N-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 29450444
N-[3-[[2-[3-(cyclopropanecarbonylamino)-2-methylanilino]acetyl]amino]phenyl]benzamide
CID 54845223
N-[3-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55898202
3-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]-4-methyl-N-phenylbenzamide
CID 60536999
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]benzamide
CID 38325655
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860
N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 29303854
N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 60703389
N-[4-[5-(cyclopropanecarbonylamino)-2-methylanilino]-4-oxobutan-2-yl]benzamide
CID 46478274
3-(cyclopropanecarbonylamino)-N-(3-ethylphenyl)benzamide
CID 32736931
N-[2-(5-benzamido-2-methylanilino)-2-oxoethyl]benzamide
CID 60518009

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethyl]amino]-4-methylphenyl]benzamide?
The IUPAC name of N-[3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethyl]amino]-4-methylphenyl]benzamide (CID 52703680) is N-[3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethyl]amino]-4-methylphenyl]benzamide.
What is the SMILES notation for N-[3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethyl]amino]-4-methylphenyl]benzamide?
The canonical SMILES for N-[3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethyl]amino]-4-methylphenyl]benzamide is Cc1ccc(NC(=O)c2ccccc2)cc1NCC(=O)NCc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethyl]amino]-4-methylphenyl]benzamide?
The InChIKey is DYENNNTZTBGSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-18-10-13-23(31-26(33)20-7-3-2-4-8-20)15-24(18)28-17-25(32)29-16-19-6-5-9-22(14-19)30-27(34)21-11-12-21/h2-10,13-15,21,28H,11-12,16-17H2,1H3,(H,29,32)(H,30,34)(H,31,33).
What are the key properties of N-[3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethyl]amino]-4-methylphenyl]benzamide?
N-[3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethyl]amino]-4-methylphenyl]benzamide has a molecular weight of 456.55 g/mol, XLogP of 4.32, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethyl]amino]-4-methylphenyl]benzamide is sourced from PubChem (CID 52703680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).