N-[4-methyl-3-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]propanamide

C15H20N2O3 — CID 95789092

IUPACN-[4-methyl-3-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(N[C@H]2C[C@@H](C)OC2=O)c1
InChIInChI=1S/C15H20N2O3/c1-4-14(18)16-11-6-5-9(2)12(8-11)17-13-7-10(3)20-15(13)19/h5-6,8,10,13,17H,4,7H2,1-3H3,(H,16,18)/t10-,13+/m1/s1
InChIKeyXKUSPFVHXYZWSV-MFKMUULPSA-N
MW276.34 g/mol
LogP2.46
Rot. Bonds4

About N-[4-methyl-3-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]propanamide

N-[4-methyl-3-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]propanamide (PubChem CID 95789092) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[4-methyl-3-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-methyl-3-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]propanamide
PubChem CID95789092
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-[4-methyl-3-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(N[C@H]2C[C@@H](C)OC2=O)c1
InChIInChI=1S/C15H20N2O3/c1-4-14(18)16-11-6-5-9(2)12(8-11)17-13-7-10(3)20-15(13)19/h5-6,8,10,13,17H,4,7H2,1-3H3,(H,16,18)/t10-,13+/m1/s1
InChIKeyXKUSPFVHXYZWSV-MFKMUULPSA-N
XLogP2.46
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3-methoxycyclobutyl)amino]-4-methylphenyl]propanamide
CID 104870299
N-[4-methyl-3-(piperidin-4-ylamino)phenyl]propanamide
CID 61016600
N-[3-[(2-bromoacetyl)amino]-4-methylphenyl]propanamide
CID 63680059
N-[3-[(3-methoxycyclohexyl)amino]-4-methylphenyl]propanamide
CID 106871646
2-[4-[[(3R,5S)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]-N-propan-2-ylacetamide
CID 96531108
N-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methylphenyl]propanamide
CID 82823652
2-methyl-2-(methylamino)-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
CID 62836559
N-[4-methyl-3-[1-(5-methylfuran-2-yl)ethylamino]phenyl]propanamide
CID 43677311
N-[5-[[2-[bis(prop-2-enyl)amino]acetyl]amino]-2-methylphenyl]propanamide
CID 54817965
4-amino-N-[2-methyl-5-(propanoylamino)phenyl]oxolane-3-carboxamide
CID 66239629
N-[4-methyl-3-(3-methylbutylamino)phenyl]propanamide
CID 43677281
2,2,3,3-tetrafluoro-N-[2-methyl-5-(propanoylamino)phenyl]propanamide
CID 103732850

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]propanamide?
The IUPAC name of N-[4-methyl-3-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]propanamide (CID 95789092) is N-[4-methyl-3-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-methyl-3-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-methyl-3-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(C)c(N[C@H]2C[C@@H](C)OC2=O)c1.
What is the InChIKey of N-[4-methyl-3-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]propanamide?
The InChIKey is XKUSPFVHXYZWSV-MFKMUULPSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-14(18)16-11-6-5-9(2)12(8-11)17-13-7-10(3)20-15(13)19/h5-6,8,10,13,17H,4,7H2,1-3H3,(H,16,18)/t10-,13+/m1/s1.
What are the key properties of N-[4-methyl-3-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]propanamide?
N-[4-methyl-3-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]propanamide has a molecular weight of 276.34 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[[(3S,5R)-5-methyl-2-oxooxolan-3-yl]amino]phenyl]propanamide is sourced from PubChem (CID 95789092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).