4-(acetamidomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]benzamide

C22H25N3O3 — CID 46468399

IUPAC4-(acetamidomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C22H25N3O3/c1-14(17-9-11-20(12-10-17)25-22(28)19-7-8-19)24-21(27)18-5-3-16(4-6-18)13-23-15(2)26/h3-6,9-12,14,19H,7-8,13H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyLEBRWJBMUAGGIB-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.16
Rot. Bonds7

About 4-(acetamidomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]benzamide

4-(acetamidomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]benzamide (PubChem CID 46468399) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]benzamide
PubChem CID46468399
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name4-(acetamidomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]benzamide
SMILESCC(=O)NCc1ccc(C(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)cc1
InChIInChI=1S/C22H25N3O3/c1-14(17-9-11-20(12-10-17)25-22(28)19-7-8-19)24-21(27)18-5-3-16(4-6-18)13-23-15(2)26/h3-6,9-12,14,19H,7-8,13H2,1-2H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyLEBRWJBMUAGGIB-UHFFFAOYSA-N
XLogP3.16
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide
CID 18140391
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(methylsulfanylmethyl)benzamide
CID 46468865
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-(diethylaminomethyl)benzamide
CID 55645122
N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46584043
1-N,4-N-bis[4-(butan-2-ylcarbamoyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17201637
4-(acetamidomethyl)-N-[1-(3,4-dichlorophenyl)ethyl]benzamide
CID 78804735
4-(cyclopropanecarbonylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 26288890
3-bromo-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-4-methoxybenzamide
CID 46475324
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
N-[4-[[[(2S)-1-hydroxypropan-2-yl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 30886257
N-[4-[(1-hydroxypropan-2-ylcarbamoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 43063537
N-[(2S)-1-aminopropan-2-yl]-4-(cyclopropanecarbonylamino)benzamide;hydrochloride
CID 120506326

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]benzamide (CID 46468399) is 4-(acetamidomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]benzamide is CC(=O)NCc1ccc(C(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]benzamide?
The InChIKey is LEBRWJBMUAGGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14(17-9-11-20(12-10-17)25-22(28)19-7-8-19)24-21(27)18-5-3-16(4-6-18)13-23-15(2)26/h3-6,9-12,14,19H,7-8,13H2,1-2H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of 4-(acetamidomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]benzamide?
4-(acetamidomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]benzamide has a molecular weight of 379.46 g/mol, XLogP of 3.16, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]benzamide is sourced from PubChem (CID 46468399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).