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)C2=CC=C(C=C2)C#N
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
LogP1.70
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)C2=CC=C(C=C2)C#N
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
XLogP1.70
TPSA65.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity396

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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)C2=CC=C(C=C2)C#N.
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 1.70, 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).