N-[4-[[2-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]pentanamide

C22H27N3O4 — CID 4931446

IUPACN-[4-[[2-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NNC(=O)C(C)Oc2cccc(C)c2)cc1
InChIInChI=1S/C22H27N3O4/c1-4-5-9-20(26)23-18-12-10-17(11-13-18)22(28)25-24-21(27)16(3)29-19-8-6-7-15(2)14-19/h6-8,10-14,16H,4-5,9H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyGQDKHEWGYBMLLF-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.35
Rot. Bonds8

About N-[4-[[2-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]pentanamide

N-[4-[[2-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]pentanamide (PubChem CID 4931446) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[4-[[2-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]pentanamide.

Molecular Properties

Compound NameN-[4-[[2-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]pentanamide
PubChem CID4931446
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC NameN-[4-[[2-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]pentanamide
SMILESCCCCC(=O)Nc1ccc(C(=O)NNC(=O)C(C)Oc2cccc(C)c2)cc1
InChIInChI=1S/C22H27N3O4/c1-4-5-9-20(26)23-18-12-10-17(11-13-18)22(28)25-24-21(27)16(3)29-19-8-6-7-15(2)14-19/h6-8,10-14,16H,4-5,9H2,1-3H3,(H,23,26)(H,24,27)(H,25,28)
InChIKeyGQDKHEWGYBMLLF-UHFFFAOYSA-N
XLogP3.35
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[2-(3-methylphenoxy)butanoylamino]carbamoyl]phenyl]butanamide
CID 4928728
N-[4-[[2-(4-methylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide
CID 4928641
N-[4-[[2-(2,4-dichlorophenoxy)propanoylamino]carbamoyl]phenyl]pentanamide
CID 4926324
4-[2-(3-methylphenoxy)propanoylamino]-N-propylbenzamide
CID 17218775
N-(3,4-dimethylphenyl)-4-[2-[2-(3-methylphenoxy)propanoyl]hydrazinyl]-4-oxobutanamide
CID 4931367
butyl 4-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate
CID 95076819
N-methyl-4-[2-(3-methylphenoxy)propanoylamino]benzamide
CID 43888206
N-[4-[[2-(4-bromo-2,6-dimethylphenoxy)propanoylamino]carbamoyl]phenyl]butanamide
CID 4961142
3-methyl-N-[4-[[2-(4-phenylphenoxy)propanoylamino]carbamoyl]phenyl]benzamide
CID 4952004
N-[4-[[[6-oxo-6-[2-[4-(pentanoylamino)benzoyl]hydrazinyl]hexanoyl]amino]carbamoyl]phenyl]pentanamide
CID 4926555
4-tert-butyl-N-[4-[2-(3-methylphenoxy)propanoylamino]phenyl]benzamide
CID 17235023
N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide
CID 4940346

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]pentanamide?
The IUPAC name of N-[4-[[2-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]pentanamide (CID 4931446) is N-[4-[[2-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]pentanamide.
What is the SMILES notation for N-[4-[[2-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]pentanamide?
The canonical SMILES for N-[4-[[2-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]pentanamide is CCCCC(=O)Nc1ccc(C(=O)NNC(=O)C(C)Oc2cccc(C)c2)cc1.
What is the InChIKey of N-[4-[[2-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]pentanamide?
The InChIKey is GQDKHEWGYBMLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-4-5-9-20(26)23-18-12-10-17(11-13-18)22(28)25-24-21(27)16(3)29-19-8-6-7-15(2)14-19/h6-8,10-14,16H,4-5,9H2,1-3H3,(H,23,26)(H,24,27)(H,25,28).
What are the key properties of N-[4-[[2-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]pentanamide?
N-[4-[[2-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]pentanamide has a molecular weight of 397.48 g/mol, XLogP of 3.35, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(3-methylphenoxy)propanoylamino]carbamoyl]phenyl]pentanamide is sourced from PubChem (CID 4931446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).