N-[(2-hydroxyphenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide

C16H24N2O3 — CID 66254812

IUPACN-[(2-hydroxyphenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)N(C)Cc1ccccc1O
InChIInChI=1S/C16H24N2O3/c1-3-8-17-14-11-21-10-13(14)16(20)18(2)9-12-6-4-5-7-15(12)19/h4-7,13-14,17,19H,3,8-11H2,1-2H3
InChIKeyWODYJTWDPLNUCS-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.37
Rot. Bonds6

About N-[(2-hydroxyphenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide

N-[(2-hydroxyphenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66254812) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide
PubChem CID66254812
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-[(2-hydroxyphenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)N(C)Cc1ccccc1O
InChIInChI=1S/C16H24N2O3/c1-3-8-17-14-11-21-10-13(14)16(20)18(2)9-12-6-4-5-7-15(12)19/h4-7,13-14,17,19H,3,8-11H2,1-2H3
InChIKeyWODYJTWDPLNUCS-UHFFFAOYSA-N
XLogP1.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66256505
N-methyl-4-(propylamino)-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide
CID 66255746
N-(2-methoxyethyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66254816
N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-(propylamino)oxolane-3-carboxamide
CID 106915220
4-(ethylamino)-N-[(4-ethylphenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66259629
N-(3,5-dimethylphenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66256169
N-(4-cyanophenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66255223
cis-(1S,2R)-2-[(2-hydroxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 93379347
N-[(4-bromophenyl)methyl]-4-(ethylamino)-N-methyloxolane-3-carboxamide
CID 66258296
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(propylamino)oxolane-3-carboxamide
CID 103188711
N-ethyl-4-(propylamino)-N-pyridin-4-yloxolane-3-carboxamide
CID 106935566
4-(ethylamino)-N-[(3-fluorophenyl)methyl]-N-methyloxolane-3-carboxamide
CID 66258659

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide (CID 66254812) is N-[(2-hydroxyphenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)N(C)Cc1ccccc1O.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is WODYJTWDPLNUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-8-17-14-11-21-10-13(14)16(20)18(2)9-12-6-4-5-7-15(12)19/h4-7,13-14,17,19H,3,8-11H2,1-2H3.
What are the key properties of N-[(2-hydroxyphenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide?
N-[(2-hydroxyphenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66254812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).