N,3-dimethyl-N-[4-(propylamino)cyclohexyl]furan-2-carboxamide

C16H26N2O2 — CID 79122404

IUPACN,3-dimethyl-N-[4-(propylamino)cyclohexyl]furan-2-carboxamide
SMILESCCCNC1CCC(N(C)C(=O)c2occc2C)CC1
InChIInChI=1S/C16H26N2O2/c1-4-10-17-13-5-7-14(8-6-13)18(3)16(19)15-12(2)9-11-20-15/h9,11,13-14,17H,4-8,10H2,1-3H3
InChIKeyFRDTYZQYZNUHGG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.97
Rot. Bonds5

About N,3-dimethyl-N-[4-(propylamino)cyclohexyl]furan-2-carboxamide

N,3-dimethyl-N-[4-(propylamino)cyclohexyl]furan-2-carboxamide (PubChem CID 79122404) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N,3-dimethyl-N-[4-(propylamino)cyclohexyl]furan-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[4-(propylamino)cyclohexyl]furan-2-carboxamide
PubChem CID79122404
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN,3-dimethyl-N-[4-(propylamino)cyclohexyl]furan-2-carboxamide
SMILESCCCNC1CCC(N(C)C(=O)c2occc2C)CC1
InChIInChI=1S/C16H26N2O2/c1-4-10-17-13-5-7-14(8-6-13)18(3)16(19)15-12(2)9-11-20-15/h9,11,13-14,17H,4-8,10H2,1-3H3
InChIKeyFRDTYZQYZNUHGG-UHFFFAOYSA-N
XLogP2.97
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[4-(propylamino)cyclohexyl]furan-2-carboxamide?
The IUPAC name of N,3-dimethyl-N-[4-(propylamino)cyclohexyl]furan-2-carboxamide (CID 79122404) is N,3-dimethyl-N-[4-(propylamino)cyclohexyl]furan-2-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[4-(propylamino)cyclohexyl]furan-2-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[4-(propylamino)cyclohexyl]furan-2-carboxamide is CCCNC1CCC(N(C)C(=O)c2occc2C)CC1.
What is the InChIKey of N,3-dimethyl-N-[4-(propylamino)cyclohexyl]furan-2-carboxamide?
The InChIKey is FRDTYZQYZNUHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-10-17-13-5-7-14(8-6-13)18(3)16(19)15-12(2)9-11-20-15/h9,11,13-14,17H,4-8,10H2,1-3H3.
What are the key properties of N,3-dimethyl-N-[4-(propylamino)cyclohexyl]furan-2-carboxamide?
N,3-dimethyl-N-[4-(propylamino)cyclohexyl]furan-2-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[4-(propylamino)cyclohexyl]furan-2-carboxamide is sourced from PubChem (CID 79122404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).