3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide

C17H26N2O2 — CID 106910402

IUPAC3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide
SMILESCC(C)NCc1ccc(NC(=O)CCC2CCCO2)cc1
InChIInChI=1S/C17H26N2O2/c1-13(2)18-12-14-5-7-15(8-6-14)19-17(20)10-9-16-4-3-11-21-16/h5-8,13,16,18H,3-4,9-12H2,1-2H3,(H,19,20)
InChIKeyYWHKFFVMRXRETL-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.08
Rot. Bonds7

About 3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide

3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide (PubChem CID 106910402) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide
PubChem CID106910402
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide
SMILESCC(C)NCc1ccc(NC(=O)CCC2CCCO2)cc1
InChIInChI=1S/C17H26N2O2/c1-13(2)18-12-14-5-7-15(8-6-14)19-17(20)10-9-16-4-3-11-21-16/h5-8,13,16,18H,3-4,9-12H2,1-2H3,(H,19,20)
InChIKeyYWHKFFVMRXRETL-UHFFFAOYSA-N
XLogP3.08
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(2-chloroethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 114299310
N-(4-bromophenyl)-3-(oxolan-2-yl)propanamide
CID 42956700
2-[[2-[4-[3-(oxolan-2-yl)propanoylamino]phenyl]acetyl]amino]acetic acid
CID 119224410
N-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 77057653
N-[4-(2-amino-2-hydroxyiminoethyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 77057810
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710
N-[4-(4-ethoxyphenoxy)phenyl]-3-(oxolan-2-yl)propanamide
CID 55605765
N-(4-cyanophenyl)-3-(oxan-2-yl)propanamide
CID 63939812
N-[3-[1-(methylamino)ethyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 65157052
N-[4-[(propan-2-ylamino)methyl]phenyl]pentanamide
CID 106910393
N-(6-bromo-3-pyridinyl)-3-(oxolan-2-yl)propanamide
CID 103789254
N-(4-ethylphenyl)-2-(oxolan-2-yl)acetamide
CID 110696629

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide?
The IUPAC name of 3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide (CID 106910402) is 3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide.
What is the SMILES notation for 3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide?
The canonical SMILES for 3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide is CC(C)NCc1ccc(NC(=O)CCC2CCCO2)cc1.
What is the InChIKey of 3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide?
The InChIKey is YWHKFFVMRXRETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13(2)18-12-14-5-7-15(8-6-14)19-17(20)10-9-16-4-3-11-21-16/h5-8,13,16,18H,3-4,9-12H2,1-2H3,(H,19,20).
What are the key properties of 3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide?
3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide has a molecular weight of 290.41 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)-N-[4-[(propan-2-ylamino)methyl]phenyl]propanamide is sourced from PubChem (CID 106910402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).