N-[3-[N-[2-(3-acetamidophenyl)propan-2-ylamino]-C-methylcarbonimidoyl]phenyl]acetamide

C21H26N4O2 — CID 146836699

IUPACN-[3-[N-[2-(3-acetamidophenyl)propan-2-ylamino]-C-methylcarbonimidoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)=NNC(C)(C)c2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C21H26N4O2/c1-14(17-8-6-10-19(12-17)22-15(2)26)24-25-21(4,5)18-9-7-11-20(13-18)23-16(3)27/h6-13,25H,1-5H3,(H,22,26)(H,23,27)
InChIKeySFGFARGONSOKEC-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.85
Rot. Bonds6

About N-[3-[N-[2-(3-acetamidophenyl)propan-2-ylamino]-C-methylcarbonimidoyl]phenyl]acetamide

N-[3-[N-[2-(3-acetamidophenyl)propan-2-ylamino]-C-methylcarbonimidoyl]phenyl]acetamide (PubChem CID 146836699) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[3-[N-[2-(3-acetamidophenyl)propan-2-ylamino]-C-methylcarbonimidoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[N-[2-(3-acetamidophenyl)propan-2-ylamino]-C-methylcarbonimidoyl]phenyl]acetamide
PubChem CID146836699
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[3-[N-[2-(3-acetamidophenyl)propan-2-ylamino]-C-methylcarbonimidoyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)=NNC(C)(C)c2cccc(NC(C)=O)c2)c1
InChIInChI=1S/C21H26N4O2/c1-14(17-8-6-10-19(12-17)22-15(2)26)24-25-21(4,5)18-9-7-11-20(13-18)23-16(3)27/h6-13,25H,1-5H3,(H,22,26)(H,23,27)
InChIKeySFGFARGONSOKEC-UHFFFAOYSA-N
XLogP3.85
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(Z)-N-(carbamoylamino)-C-methylcarbonimidoyl]phenyl]acetamide
CID 6020603
3-acetamido-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 46513424
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide
CID 6217170
4-N-[(E)-1-(3-acetamidophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 17349534
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-2-hydroxybenzamide
CID 9077930
N-[3-(2,2,2-trichloro-1,1-difluoroethyl)phenyl]acetamide
CID 54366918
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
3-acetamido-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 110663941
N-[3-[(Z)-N-[(4-methoxyphenyl)methylcarbamothioylamino]-C-methylcarbonimidoyl]phenyl]acetamide
CID 9176380
N-(3-acetamidophenyl)-4-tert-butylbenzamide
CID 722339
N-[3-[(Z)-C-methyl-N-[(Z)-(2-oxo-1,2-diphenylethylidene)amino]carbonimidoyl]phenyl]acetamide
CID 9074410
1-N,3-N,5-N-tris(3-tert-butylphenyl)benzene-1,3,5-tricarboxamide
CID 67992144

Frequently Asked Questions

What is the IUPAC name of N-[3-[N-[2-(3-acetamidophenyl)propan-2-ylamino]-C-methylcarbonimidoyl]phenyl]acetamide?
The IUPAC name of N-[3-[N-[2-(3-acetamidophenyl)propan-2-ylamino]-C-methylcarbonimidoyl]phenyl]acetamide (CID 146836699) is N-[3-[N-[2-(3-acetamidophenyl)propan-2-ylamino]-C-methylcarbonimidoyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[N-[2-(3-acetamidophenyl)propan-2-ylamino]-C-methylcarbonimidoyl]phenyl]acetamide?
The canonical SMILES for N-[3-[N-[2-(3-acetamidophenyl)propan-2-ylamino]-C-methylcarbonimidoyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)=NNC(C)(C)c2cccc(NC(C)=O)c2)c1.
What is the InChIKey of N-[3-[N-[2-(3-acetamidophenyl)propan-2-ylamino]-C-methylcarbonimidoyl]phenyl]acetamide?
The InChIKey is SFGFARGONSOKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-14(17-8-6-10-19(12-17)22-15(2)26)24-25-21(4,5)18-9-7-11-20(13-18)23-16(3)27/h6-13,25H,1-5H3,(H,22,26)(H,23,27).
What are the key properties of N-[3-[N-[2-(3-acetamidophenyl)propan-2-ylamino]-C-methylcarbonimidoyl]phenyl]acetamide?
N-[3-[N-[2-(3-acetamidophenyl)propan-2-ylamino]-C-methylcarbonimidoyl]phenyl]acetamide has a molecular weight of 366.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[N-[2-(3-acetamidophenyl)propan-2-ylamino]-C-methylcarbonimidoyl]phenyl]acetamide is sourced from PubChem (CID 146836699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).