N'-(4-propan-2-yloxyphenyl)butanediamide

C13H18N2O3 — CID 94268902

IUPACN'-(4-propan-2-yloxyphenyl)butanediamide
SMILESCC(C)Oc1ccc(NC(=O)CCC(N)=O)cc1
InChIInChI=1S/C13H18N2O3/c1-9(2)18-11-5-3-10(4-6-11)15-13(17)8-7-12(14)16/h3-6,9H,7-8H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyLBHITPVVOAIBMK-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.68
Rot. Bonds6

About N'-(4-propan-2-yloxyphenyl)butanediamide

N'-(4-propan-2-yloxyphenyl)butanediamide (PubChem CID 94268902) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-(4-propan-2-yloxyphenyl)butanediamide.

Molecular Properties

Compound NameN'-(4-propan-2-yloxyphenyl)butanediamide
PubChem CID94268902
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-(4-propan-2-yloxyphenyl)butanediamide
SMILESCC(C)Oc1ccc(NC(=O)CCC(N)=O)cc1
InChIInChI=1S/C13H18N2O3/c1-9(2)18-11-5-3-10(4-6-11)15-13(17)8-7-12(14)16/h3-6,9H,7-8H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyLBHITPVVOAIBMK-UHFFFAOYSA-N
XLogP1.68
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-bis(4-propan-2-yloxyphenyl)butanediamide
CID 17340345
4-chloro-N-(4-propan-2-yloxyphenyl)butanamide
CID 17161001
3-oxo-N-(4-propan-2-yloxyphenyl)butanamide
CID 28969935
4-cyano-N-(4-propan-2-yloxyphenyl)pentanamide
CID 112516837
3-(4-methoxyphenyl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 19221042
3-(4-ethylanilino)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109036370
3-[acetyl(propan-2-yl)amino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 113115249
2-(4-acetamidoanilino)-N-(4-propan-2-yloxyphenyl)acetamide
CID 54809144
3-[(4-bromophenyl)carbamoylamino]-N-(4-propan-2-yloxyphenyl)propanamide
CID 55796869
3-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 109017718
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
N-[4-[[2-(4-propan-2-yloxyanilino)acetyl]amino]phenyl]propanamide
CID 54822614

Frequently Asked Questions

What is the IUPAC name of N'-(4-propan-2-yloxyphenyl)butanediamide?
The IUPAC name of N'-(4-propan-2-yloxyphenyl)butanediamide (CID 94268902) is N'-(4-propan-2-yloxyphenyl)butanediamide.
What is the SMILES notation for N'-(4-propan-2-yloxyphenyl)butanediamide?
The canonical SMILES for N'-(4-propan-2-yloxyphenyl)butanediamide is CC(C)Oc1ccc(NC(=O)CCC(N)=O)cc1.
What is the InChIKey of N'-(4-propan-2-yloxyphenyl)butanediamide?
The InChIKey is LBHITPVVOAIBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-9(2)18-11-5-3-10(4-6-11)15-13(17)8-7-12(14)16/h3-6,9H,7-8H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of N'-(4-propan-2-yloxyphenyl)butanediamide?
N'-(4-propan-2-yloxyphenyl)butanediamide has a molecular weight of 250.30 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-propan-2-yloxyphenyl)butanediamide is sourced from PubChem (CID 94268902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).