N-butyl-2-methoxyacetamide;N-[2-oxo-2-(pentylamino)ethyl]-3-[4-(propanoylamino)phenyl]propanamide

C26H44N4O5 — CID 161341478

IUPACN-butyl-2-methoxyacetamide;N-[2-oxo-2-(pentylamino)ethyl]-3-[4-(propanoylamino)phenyl]propanamide
SMILESCCCCCNC(=O)CNC(=O)CCc1ccc(NC(=O)CC)cc1.CCCCNC(=O)COC
InChIInChI=1S/C19H29N3O3.C7H15NO2/c1-3-5-6-13-20-19(25)14-21-18(24)12-9-15-7-10-16(11-8-15)22-17(23)4-2;1-3-4-5-8-7(9)6-10-2/h7-8,10-11H,3-6,9,12-14H2,1-2H3,(H,20,25)(H,21,24)(H,22,23);3-6H2,1-2H3,(H,8,9)
InChIKeyVMSKRAUZCYHXGF-UHFFFAOYSA-N
MW492.66 g/mol
LogP2.94
Rot. Bonds16

About N-butyl-2-methoxyacetamide;N-[2-oxo-2-(pentylamino)ethyl]-3-[4-(propanoylamino)phenyl]propanamide

N-butyl-2-methoxyacetamide;N-[2-oxo-2-(pentylamino)ethyl]-3-[4-(propanoylamino)phenyl]propanamide (PubChem CID 161341478) has the molecular formula C26H44N4O5 and a molecular weight of 492.66 g/mol. Its IUPAC name is N-butyl-2-methoxyacetamide;N-[2-oxo-2-(pentylamino)ethyl]-3-[4-(propanoylamino)phenyl]propanamide.

Molecular Properties

Compound NameN-butyl-2-methoxyacetamide;N-[2-oxo-2-(pentylamino)ethyl]-3-[4-(propanoylamino)phenyl]propanamide
PubChem CID161341478
Molecular FormulaC26H44N4O5
Molecular Weight492.66 g/mol
Exact Mass492.33
IUPAC NameN-butyl-2-methoxyacetamide;N-[2-oxo-2-(pentylamino)ethyl]-3-[4-(propanoylamino)phenyl]propanamide
SMILESCCCCCNC(=O)CNC(=O)CCc1ccc(NC(=O)CC)cc1.CCCCNC(=O)COC
InChIInChI=1S/C19H29N3O3.C7H15NO2/c1-3-5-6-13-20-19(25)14-21-18(24)12-9-15-7-10-16(11-8-15)22-17(23)4-2;1-3-4-5-8-7(9)6-10-2/h7-8,10-11H,3-6,9,12-14H2,1-2H3,(H,20,25)(H,21,24)(H,22,23);3-6H2,1-2H3,(H,8,9)
InChIKeyVMSKRAUZCYHXGF-UHFFFAOYSA-N
XLogP2.94
TPSA125.63 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.66
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[2-(heptylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835584
2-methoxy-N-nonylacetamide
CID 86922058
N-[2-(3-methoxypropylamino)-2-oxoethyl]-3-phenylpropanamide
CID 112991215
N-(4-dodecylphenyl)-6-[4-[4-(prop-2-enoylamino)phenyl]butanoylamino]hexanamide
CID 67517696
3-(3,4-dimethoxyphenyl)-N-hexylpropanamide
CID 19220639
N-hexyl-4-(propanoylamino)benzamide
CID 17257310
N-[4-[2-[3-(4-methylphenyl)propylamino]-2-oxoethoxy]phenyl]propanamide
CID 50979662
N-(4-pentylphenyl)-2-[(2-phenoxyacetyl)amino]acetamide
CID 26776941
CID 161252204
CID 161252204
N-[2-(4-methoxyanilino)-2-oxoethyl]nonanamide
CID 5172800
N-[11-[(2-methoxyacetyl)amino]undecyl]propanamide
CID 155455429
3-(4-methoxyphenyl)-N-[8-[3-(4-methoxyphenyl)propanoylamino]octyl]propanamide
CID 4661025

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methoxyacetamide;N-[2-oxo-2-(pentylamino)ethyl]-3-[4-(propanoylamino)phenyl]propanamide?
The IUPAC name of N-butyl-2-methoxyacetamide;N-[2-oxo-2-(pentylamino)ethyl]-3-[4-(propanoylamino)phenyl]propanamide (CID 161341478) is N-butyl-2-methoxyacetamide;N-[2-oxo-2-(pentylamino)ethyl]-3-[4-(propanoylamino)phenyl]propanamide.
What is the SMILES notation for N-butyl-2-methoxyacetamide;N-[2-oxo-2-(pentylamino)ethyl]-3-[4-(propanoylamino)phenyl]propanamide?
The canonical SMILES for N-butyl-2-methoxyacetamide;N-[2-oxo-2-(pentylamino)ethyl]-3-[4-(propanoylamino)phenyl]propanamide is CCCCCNC(=O)CNC(=O)CCc1ccc(NC(=O)CC)cc1.CCCCNC(=O)COC.
What is the InChIKey of N-butyl-2-methoxyacetamide;N-[2-oxo-2-(pentylamino)ethyl]-3-[4-(propanoylamino)phenyl]propanamide?
The InChIKey is VMSKRAUZCYHXGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.C7H15NO2/c1-3-5-6-13-20-19(25)14-21-18(24)12-9-15-7-10-16(11-8-15)22-17(23)4-2;1-3-4-5-8-7(9)6-10-2/h7-8,10-11H,3-6,9,12-14H2,1-2H3,(H,20,25)(H,21,24)(H,22,23);3-6H2,1-2H3,(H,8,9).
What are the key properties of N-butyl-2-methoxyacetamide;N-[2-oxo-2-(pentylamino)ethyl]-3-[4-(propanoylamino)phenyl]propanamide?
N-butyl-2-methoxyacetamide;N-[2-oxo-2-(pentylamino)ethyl]-3-[4-(propanoylamino)phenyl]propanamide has a molecular weight of 492.66 g/mol, XLogP of 2.94, 16 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methoxyacetamide;N-[2-oxo-2-(pentylamino)ethyl]-3-[4-(propanoylamino)phenyl]propanamide is sourced from PubChem (CID 161341478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).