N'-benzyl-N-(3-formamidopropyl)-N'-propan-2-yloxamide

C16H23N3O3 — CID 108503523

IUPACN'-benzyl-N-(3-formamidopropyl)-N'-propan-2-yloxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C(=O)NCCCNC=O
InChIInChI=1S/C16H23N3O3/c1-13(2)19(11-14-7-4-3-5-8-14)16(22)15(21)18-10-6-9-17-12-20/h3-5,7-8,12-13H,6,9-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyBSRDACOINOJIOY-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.68
Rot. Bonds8

About N'-benzyl-N-(3-formamidopropyl)-N'-propan-2-yloxamide

N'-benzyl-N-(3-formamidopropyl)-N'-propan-2-yloxamide (PubChem CID 108503523) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N'-benzyl-N-(3-formamidopropyl)-N'-propan-2-yloxamide.

Molecular Properties

Compound NameN'-benzyl-N-(3-formamidopropyl)-N'-propan-2-yloxamide
PubChem CID108503523
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN'-benzyl-N-(3-formamidopropyl)-N'-propan-2-yloxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C(=O)NCCCNC=O
InChIInChI=1S/C16H23N3O3/c1-13(2)19(11-14-7-4-3-5-8-14)16(22)15(21)18-10-6-9-17-12-20/h3-5,7-8,12-13H,6,9-11H2,1-2H3,(H,17,20)(H,18,21)
InChIKeyBSRDACOINOJIOY-UHFFFAOYSA-N
XLogP0.68
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminoethyl)-N'-benzyl-N'-propan-2-yloxamide
CID 43316028
N'-benzyl-N-tert-butyl-N'-propan-2-yloxamide
CID 108503369
N'-benzyl-N-(2-piperazin-1-ylethyl)-N'-propan-2-yloxamide
CID 108503431
N'-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-propan-2-yloxamide
CID 108503366
N-[3-(2-phenylethylcarbamoylamino)propyl]formamide
CID 108888088
(Z)-N-benzyl-2-cyano-3-(3-hydroxypropylamino)-N-propan-2-ylprop-2-enamide
CID 108830012
N'-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N'-propan-2-yloxamide
CID 108985863
4-[[(Z)-3-[benzyl(propan-2-yl)amino]-2-cyano-3-oxoprop-1-enyl]amino]butanoic acid
CID 108829914
N-benzyl-N-propan-2-ylacetamide
CID 23534449
1-benzyl-3-ethyl-1-propan-2-ylurea
CID 108890429
2-amino-N-(3-formamidopropyl)-2-phenylacetamide
CID 110463054
N-benzyl-2-methoxy-N-propan-2-ylpropanamide
CID 115588172

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(3-formamidopropyl)-N'-propan-2-yloxamide?
The IUPAC name of N'-benzyl-N-(3-formamidopropyl)-N'-propan-2-yloxamide (CID 108503523) is N'-benzyl-N-(3-formamidopropyl)-N'-propan-2-yloxamide.
What is the SMILES notation for N'-benzyl-N-(3-formamidopropyl)-N'-propan-2-yloxamide?
The canonical SMILES for N'-benzyl-N-(3-formamidopropyl)-N'-propan-2-yloxamide is CC(C)N(Cc1ccccc1)C(=O)C(=O)NCCCNC=O.
What is the InChIKey of N'-benzyl-N-(3-formamidopropyl)-N'-propan-2-yloxamide?
The InChIKey is BSRDACOINOJIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-13(2)19(11-14-7-4-3-5-8-14)16(22)15(21)18-10-6-9-17-12-20/h3-5,7-8,12-13H,6,9-11H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N'-benzyl-N-(3-formamidopropyl)-N'-propan-2-yloxamide?
N'-benzyl-N-(3-formamidopropyl)-N'-propan-2-yloxamide has a molecular weight of 305.38 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(3-formamidopropyl)-N'-propan-2-yloxamide is sourced from PubChem (CID 108503523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).