3-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]propanamide

C15H22N2O3 — CID 110474057

IUPAC3-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]propanamide
SMILESCC(C)(C)Oc1ccc(CC(=O)NCCC(N)=O)cc1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-12-6-4-11(5-7-12)10-14(19)17-9-8-13(16)18/h4-7H,8-10H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyKORIAYPMVNNJHU-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.40
Rot. Bonds6

About 3-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]propanamide

3-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]propanamide (PubChem CID 110474057) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]propanamide.

Molecular Properties

Compound Name3-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]propanamide
PubChem CID110474057
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]propanamide
SMILESCC(C)(C)Oc1ccc(CC(=O)NCCC(N)=O)cc1
InChIInChI=1S/C15H22N2O3/c1-15(2,3)20-12-6-4-11(5-7-12)10-14(19)17-9-8-13(16)18/h4-7H,8-10H2,1-3H3,(H2,16,18)(H,17,19)
InChIKeyKORIAYPMVNNJHU-UHFFFAOYSA-N
XLogP1.40
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetohydrazide
CID 17245093
N-[4-(dimethylamino)butyl]-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 110436526
2-[4-[(2-methylpropan-2-yl)oxy]phenyl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110436537
2-amino-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]propanamide
CID 110460128
N-(4-methylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 110437429
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-phenylacetamide
CID 21043279
methyl 4-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]benzoate
CID 110437454
tert-butyl N-[3-[2-[[2-(4-bromophenyl)acetyl]amino]ethylamino]-3-oxopropyl]carbamate
CID 108919137
ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate
CID 108573122
N-(2,3-dimethylphenyl)-2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetamide
CID 110437458
3-(methylamino)-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]propanamide
CID 98784394
4-[[2-(4-carbamothioylphenyl)acetyl]amino]butanamide
CID 63591382

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]propanamide?
The IUPAC name of 3-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]propanamide (CID 110474057) is 3-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]propanamide.
What is the SMILES notation for 3-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]propanamide?
The canonical SMILES for 3-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]propanamide is CC(C)(C)Oc1ccc(CC(=O)NCCC(N)=O)cc1.
What is the InChIKey of 3-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]propanamide?
The InChIKey is KORIAYPMVNNJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-15(2,3)20-12-6-4-11(5-7-12)10-14(19)17-9-8-13(16)18/h4-7H,8-10H2,1-3H3,(H2,16,18)(H,17,19).
What are the key properties of 3-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]propanamide?
3-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]propanamide has a molecular weight of 278.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-[(2-methylpropan-2-yl)oxy]phenyl]acetyl]amino]propanamide is sourced from PubChem (CID 110474057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).