N-(4-cyanophenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide

C16H21N3O2 — CID 66255223

IUPACN-(4-cyanophenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)N(C)c1ccc(C#N)cc1
InChIInChI=1S/C16H21N3O2/c1-3-8-18-15-11-21-10-14(15)16(20)19(2)13-6-4-12(9-17)5-7-13/h4-7,14-15,18H,3,8,10-11H2,1-2H3
InChIKeyPCDUNUBIQBIKHF-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.54
Rot. Bonds5

About N-(4-cyanophenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide

N-(4-cyanophenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide (PubChem CID 66255223) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
PubChem CID66255223
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(4-cyanophenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
SMILESCCCNC1COCC1C(=O)N(C)c1ccc(C#N)cc1
InChIInChI=1S/C16H21N3O2/c1-3-8-18-15-11-21-10-14(15)16(20)19(2)13-6-4-12(9-17)5-7-13/h4-7,14-15,18H,3,8,10-11H2,1-2H3
InChIKeyPCDUNUBIQBIKHF-UHFFFAOYSA-N
XLogP1.54
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]benzoic acid
CID 104698721
N-[(4-cyanophenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66266207
N-(4-ethylphenyl)-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66265259
N-[(2-hydroxyphenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66254812
N-[(2-fluorophenyl)methyl]-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66256505
N-(2-methoxyethyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66254816
2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]propanoic acid
CID 66255984
N-cyclohexyl-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66257070
N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-(propylamino)oxolane-3-carboxamide
CID 106915220
2-[methyl-[4-(propylamino)oxolane-3-carbonyl]amino]butanoic acid
CID 66256930
N-(2-cyano-4-fluorophenyl)-4-(propylamino)oxolane-3-carboxamide
CID 82683106
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-(propylamino)oxolane-3-carboxamide
CID 103188711

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide (CID 66255223) is N-(4-cyanophenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide is CCCNC1COCC1C(=O)N(C)c1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide?
The InChIKey is PCDUNUBIQBIKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-8-18-15-11-21-10-14(15)16(20)19(2)13-6-4-12(9-17)5-7-13/h4-7,14-15,18H,3,8,10-11H2,1-2H3.
What are the key properties of N-(4-cyanophenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide?
N-(4-cyanophenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N-methyl-4-(propylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66255223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).