N-[(1R)-1-(2-methylphenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide

C17H26N2O2 — CID 81363941

IUPACN-[(1R)-1-(2-methylphenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)N[C@H](C)c1ccccc1C
InChIInChI=1S/C17H26N2O2/c1-4-9-18-16-11-21-10-15(16)17(20)19-13(3)14-8-6-5-7-12(14)2/h5-8,13,15-16,18H,4,9-11H2,1-3H3,(H,19,20)/t13-,15?,16?/m1/s1
InChIKeyVBMYTRYHQOIMIZ-IUDNXUCKSA-N
MW290.41 g/mol
LogP2.19
Rot. Bonds6

About N-[(1R)-1-(2-methylphenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide

N-[(1R)-1-(2-methylphenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide (PubChem CID 81363941) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[(1R)-1-(2-methylphenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methylphenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
PubChem CID81363941
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[(1R)-1-(2-methylphenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)N[C@H](C)c1ccccc1C
InChIInChI=1S/C17H26N2O2/c1-4-9-18-16-11-21-10-15(16)17(20)19-13(3)14-8-6-5-7-12(14)2/h5-8,13,15-16,18H,4,9-11H2,1-3H3,(H,19,20)/t13-,15?,16?/m1/s1
InChIKeyVBMYTRYHQOIMIZ-IUDNXUCKSA-N
XLogP2.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(ethylamino)-N-[(1S)-1-(2-methylphenyl)ethyl]oxolane-3-carboxamide
CID 81379978
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 81357106
N-propan-2-yl-4-(propylamino)oxolane-3-carboxamide
CID 66254772
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-4-(propylamino)oxolane-3-carboxamide
CID 106388450
ethyl 2-[[4-(propylamino)oxolane-3-carbonyl]amino]propanoate
CID 66257122
4-(propylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]oxolane-3-carboxamide
CID 106212889
4-[1-(2-methylphenyl)ethylcarbamoylamino]oxolane-3-carboxylic acid
CID 66238959
N-[1-(diethylamino)propan-2-yl]-4-(propylamino)oxolane-3-carboxamide
CID 66255598
4-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide
CID 81399688
4-(ethylamino)-N-[(1S)-1-(furan-2-yl)ethyl]oxolane-3-carboxamide
CID 81399674
N-(2,6-dichloro-3-methylphenyl)-4-(propylamino)oxolane-3-carboxamide
CID 66257067
N-[(2R)-1-hydroxybutan-2-yl]-4-(propylamino)oxolane-3-carboxamide
CID 107221302

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methylphenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-[(1R)-1-(2-methylphenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide (CID 81363941) is N-[(1R)-1-(2-methylphenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-methylphenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-methylphenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)N[C@H](C)c1ccccc1C.
What is the InChIKey of N-[(1R)-1-(2-methylphenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is VBMYTRYHQOIMIZ-IUDNXUCKSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-4-9-18-16-11-21-10-15(16)17(20)19-13(3)14-8-6-5-7-12(14)2/h5-8,13,15-16,18H,4,9-11H2,1-3H3,(H,19,20)/t13-,15?,16?/m1/s1.
What are the key properties of N-[(1R)-1-(2-methylphenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide?
N-[(1R)-1-(2-methylphenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methylphenyl)ethyl]-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 81363941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).