N-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide

C14H20N2O2 — CID 82726862

IUPACN-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC2CCOC2C)cc1
InChIInChI=1S/C14H20N2O2/c1-3-14(17)16-12-6-4-11(5-7-12)15-13-8-9-18-10(13)2/h4-7,10,13,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyXGKFDHLXFRWJAO-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.62
Rot. Bonds4

About N-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide

N-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide (PubChem CID 82726862) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide
PubChem CID82726862
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(NC2CCOC2C)cc1
InChIInChI=1S/C14H20N2O2/c1-3-14(17)16-12-6-4-11(5-7-12)15-13-8-9-18-10(13)2/h4-7,10,13,15H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyXGKFDHLXFRWJAO-UHFFFAOYSA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
CID 82716841
N-[4-(oxan-4-ylamino)phenyl]propanamide
CID 43720580
N-[4-[(2-methylthiolan-3-yl)amino]phenyl]propanamide
CID 102671123
N,N-diethyl-2-[4-[[(2S,3R)-2-methyloxolan-3-yl]amino]phenyl]acetamide
CID 97332615
(2R,3R)-N-(4-chlorophenyl)-2-methyloxolan-3-amine
CID 97358491
N-[4-(cyclohexylamino)phenyl]propanamide
CID 43720651
N-[4-(cyclooctylamino)phenyl]propanamide
CID 43720606
N-[4-(1-azabicyclo[3.2.1]octan-4-ylamino)phenyl]propanamide
CID 105364117
N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]acetamide
CID 82727245
4-[(2-methyloxolan-3-yl)amino]benzonitrile
CID 82726591
N-[4-[(1-propylpiperidin-4-yl)amino]phenyl]propanamide
CID 43720611
3-(dimethylamino)-N-[2-methyl-5-[[(2R,3R)-2-methyloxolan-3-yl]amino]phenyl]propanamide
CID 124617563

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide?
The IUPAC name of N-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide (CID 82726862) is N-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide?
The canonical SMILES for N-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide is CCC(=O)Nc1ccc(NC2CCOC2C)cc1.
What is the InChIKey of N-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide?
The InChIKey is XGKFDHLXFRWJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-14(17)16-12-6-4-11(5-7-12)15-13-8-9-18-10(13)2/h4-7,10,13,15H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of N-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide?
N-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide has a molecular weight of 248.33 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methyloxolan-3-yl)amino]phenyl]propanamide is sourced from PubChem (CID 82726862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).