4-(acetamidomethyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide

C21H27N3O2 — CID 18106356

IUPAC4-(acetamidomethyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide
SMILESCCN(c1ccc(NC(=O)c2ccc(CNC(C)=O)cc2)cc1)C(C)C
InChIInChI=1S/C21H27N3O2/c1-5-24(15(2)3)20-12-10-19(11-13-20)23-21(26)18-8-6-17(7-9-18)14-22-16(4)25/h6-13,15H,5,14H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyZGKNIKXNPIRJGT-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.81
Rot. Bonds7

About 4-(acetamidomethyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide

4-(acetamidomethyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide (PubChem CID 18106356) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide
PubChem CID18106356
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-(acetamidomethyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide
SMILESCCN(c1ccc(NC(=O)c2ccc(CNC(C)=O)cc2)cc1)C(C)C
InChIInChI=1S/C21H27N3O2/c1-5-24(15(2)3)20-12-10-19(11-13-20)23-21(26)18-8-6-17(7-9-18)14-22-16(4)25/h6-13,15H,5,14H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyZGKNIKXNPIRJGT-UHFFFAOYSA-N
XLogP3.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(carbamoylamino)methyl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide
CID 46560402
N-[4-[ethyl(propan-2-yl)amino]phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 18267387
4-(acetamidomethyl)-N-(4-phenylphenyl)benzamide
CID 78805930
N-[4-[ethyl(propan-2-yl)amino]phenyl]-3,5-dimethoxybenzamide
CID 7406846
propyl 4-[[4-(acetamidomethyl)benzoyl]amino]benzoate
CID 18195951
4-(acetamidomethyl)-N-[4-(cyclopropanecarbonylamino)phenyl]benzamide
CID 18140391
N-[3-(carbamoylamino)phenyl]-4-[ethyl(propan-2-yl)amino]benzamide
CID 75405974
4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 18194972
N-[4-[[[4-[[ethyl(propan-2-yl)amino]methyl]benzoyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 86878011
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
CID 60641040
4-(acetamidomethyl)-N-ethylbenzamide
CID 20648409
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1,2,5-thiadiazole-3-carboxamide
CID 47260947

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide (CID 18106356) is 4-(acetamidomethyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide is CCN(c1ccc(NC(=O)c2ccc(CNC(C)=O)cc2)cc1)C(C)C.
What is the InChIKey of 4-(acetamidomethyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide?
The InChIKey is ZGKNIKXNPIRJGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-24(15(2)3)20-12-10-19(11-13-20)23-21(26)18-8-6-17(7-9-18)14-22-16(4)25/h6-13,15H,5,14H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 4-(acetamidomethyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide?
4-(acetamidomethyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide has a molecular weight of 353.47 g/mol, XLogP of 3.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]benzamide is sourced from PubChem (CID 18106356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).