N-[2-methyl-3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide

C16H24N2O2 — CID 115916565

IUPACN-[2-methyl-3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(C)C2CCOC2)c1C
InChIInChI=1S/C16H24N2O2/c1-4-16(19)18-15-7-5-6-14(11(15)2)17-12(3)13-8-9-20-10-13/h5-7,12-13,17H,4,8-10H2,1-3H3,(H,18,19)
InChIKeyUKHXXMOEVBIYCB-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.18
Rot. Bonds5

About N-[2-methyl-3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide

N-[2-methyl-3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide (PubChem CID 115916565) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[2-methyl-3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methyl-3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide
PubChem CID115916565
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[2-methyl-3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC(C)C2CCOC2)c1C
InChIInChI=1S/C16H24N2O2/c1-4-16(19)18-15-7-5-6-14(11(15)2)17-12(3)13-8-9-20-10-13/h5-7,12-13,17H,4,8-10H2,1-3H3,(H,18,19)
InChIKeyUKHXXMOEVBIYCB-UHFFFAOYSA-N
XLogP3.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide
CID 115917600
N-[2-methyl-3-(oxan-3-ylmethylamino)phenyl]propanamide
CID 63739677
2-[2-[1-(oxolan-3-yl)ethylamino]phenyl]sulfanylacetamide
CID 115928559
N-[3-(hexan-3-ylamino)-2-methylphenyl]propanamide
CID 103930833
N-[3-(3-methoxybutan-2-ylamino)-2-methylphenyl]propanamide
CID 115916566
2-[1-(oxolan-3-yl)ethylamino]-N-phenylacetamide
CID 115713791
N-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006819
N-[3-(hex-5-en-2-ylamino)-2-methylphenyl]propanamide
CID 104583783
N-[1-(oxolan-3-yl)ethyl]quinolin-8-amine
CID 115916542
2,4-dimethyl-N-[1-(oxolan-3-yl)ethyl]aniline
CID 115925815
(3S)-N-[(2R)-butan-2-yl]-N-[2-(2,3-dimethylanilino)-2-oxoethyl]oxolane-3-carboxamide
CID 97250350
2-fluoro-6-[1-(oxolan-3-yl)ethylamino]benzonitrile
CID 115658095

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide?
The IUPAC name of N-[2-methyl-3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide (CID 115916565) is N-[2-methyl-3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide.
What is the SMILES notation for N-[2-methyl-3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide?
The canonical SMILES for N-[2-methyl-3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide is CCC(=O)Nc1cccc(NC(C)C2CCOC2)c1C.
What is the InChIKey of N-[2-methyl-3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide?
The InChIKey is UKHXXMOEVBIYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-4-16(19)18-15-7-5-6-14(11(15)2)17-12(3)13-8-9-20-10-13/h5-7,12-13,17H,4,8-10H2,1-3H3,(H,18,19).
What are the key properties of N-[2-methyl-3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide?
N-[2-methyl-3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide has a molecular weight of 276.38 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-[1-(oxolan-3-yl)ethylamino]phenyl]propanamide is sourced from PubChem (CID 115916565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).