5-(carbamoylamino)-N-(4-phenylmethoxyphenyl)pentanamide

C19H23N3O3 — CID 9034708

IUPAC5-(carbamoylamino)-N-(4-phenylmethoxyphenyl)pentanamide
SMILESNC(=O)NCCCCC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O3/c20-19(24)21-13-5-4-8-18(23)22-16-9-11-17(12-10-16)25-14-15-6-2-1-3-7-15/h1-3,6-7,9-12H,4-5,8,13-14H2,(H,22,23)(H3,20,21,24)
InChIKeyXGSQWAUIDPWJQF-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.04
Rot. Bonds9

About 5-(carbamoylamino)-N-(4-phenylmethoxyphenyl)pentanamide

5-(carbamoylamino)-N-(4-phenylmethoxyphenyl)pentanamide (PubChem CID 9034708) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 5-(carbamoylamino)-N-(4-phenylmethoxyphenyl)pentanamide.

Molecular Properties

Compound Name5-(carbamoylamino)-N-(4-phenylmethoxyphenyl)pentanamide
PubChem CID9034708
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name5-(carbamoylamino)-N-(4-phenylmethoxyphenyl)pentanamide
SMILESNC(=O)NCCCCC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H23N3O3/c20-19(24)21-13-5-4-8-18(23)22-16-9-11-17(12-10-16)25-14-15-6-2-1-3-7-15/h1-3,6-7,9-12H,4-5,8,13-14H2,(H,22,23)(H3,20,21,24)
InChIKeyXGSQWAUIDPWJQF-UHFFFAOYSA-N
XLogP3.04
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-oxo-4-(4-phenylmethoxyanilino)butyl]azanium
CID 42149432
[4-[5-(carbamoylamino)pentanoylamino]phenyl]methyl 2-sulfanylacetate
CID 167147307
3-(2-hydroxyethylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 143395384
3-(4-fluoroanilino)-N-(4-phenylmethoxyphenyl)propanamide
CID 109037756
ethyl 4-oxo-4-(4-phenylmethoxyanilino)butanoate
CID 4947468
N-(4-phenylmethoxyphenyl)-N'-pyridin-3-ylpentanediamide
CID 51362775
5-(carbamoylamino)-N-(4-iodophenyl)pentanamide
CID 29404469
N,N'-bis[4-(2-phenylethoxy)phenyl]nonanediamide
CID 17067257
methyl (2S)-2-[[5-oxo-5-(4-phenylmethoxyanilino)pentanoyl]amino]-3-phenylpropanoate
CID 41263642
N-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]-3-phenylpropanamide
CID 113000439
3-(4-methylphenoxy)-N-(4-phenylmethoxyphenyl)propanamide
CID 7963977
3-(cyclohexylcarbamoylamino)-N-(4-phenylmethoxyphenyl)propanamide
CID 46597632

Frequently Asked Questions

What is the IUPAC name of 5-(carbamoylamino)-N-(4-phenylmethoxyphenyl)pentanamide?
The IUPAC name of 5-(carbamoylamino)-N-(4-phenylmethoxyphenyl)pentanamide (CID 9034708) is 5-(carbamoylamino)-N-(4-phenylmethoxyphenyl)pentanamide.
What is the SMILES notation for 5-(carbamoylamino)-N-(4-phenylmethoxyphenyl)pentanamide?
The canonical SMILES for 5-(carbamoylamino)-N-(4-phenylmethoxyphenyl)pentanamide is NC(=O)NCCCCC(=O)Nc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 5-(carbamoylamino)-N-(4-phenylmethoxyphenyl)pentanamide?
The InChIKey is XGSQWAUIDPWJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c20-19(24)21-13-5-4-8-18(23)22-16-9-11-17(12-10-16)25-14-15-6-2-1-3-7-15/h1-3,6-7,9-12H,4-5,8,13-14H2,(H,22,23)(H3,20,21,24).
What are the key properties of 5-(carbamoylamino)-N-(4-phenylmethoxyphenyl)pentanamide?
5-(carbamoylamino)-N-(4-phenylmethoxyphenyl)pentanamide has a molecular weight of 341.41 g/mol, XLogP of 3.04, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbamoylamino)-N-(4-phenylmethoxyphenyl)pentanamide is sourced from PubChem (CID 9034708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).