N-[4-[2-[ethyl(oxan-2-ylmethyl)amino]-2-oxoethyl]phenyl]butanamide

C20H30N2O3 — CID 46988495

IUPACN-[4-[2-[ethyl(oxan-2-ylmethyl)amino]-2-oxoethyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CC(=O)N(CC)CC2CCCCO2)cc1
InChIInChI=1S/C20H30N2O3/c1-3-7-19(23)21-17-11-9-16(10-12-17)14-20(24)22(4-2)15-18-8-5-6-13-25-18/h9-12,18H,3-8,13-15H2,1-2H3,(H,21,23)
InChIKeyRWIGSPNMOWQXGK-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.39
Rot. Bonds8

About N-[4-[2-[ethyl(oxan-2-ylmethyl)amino]-2-oxoethyl]phenyl]butanamide

N-[4-[2-[ethyl(oxan-2-ylmethyl)amino]-2-oxoethyl]phenyl]butanamide (PubChem CID 46988495) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[4-[2-[ethyl(oxan-2-ylmethyl)amino]-2-oxoethyl]phenyl]butanamide.

Molecular Properties

Compound NameN-[4-[2-[ethyl(oxan-2-ylmethyl)amino]-2-oxoethyl]phenyl]butanamide
PubChem CID46988495
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-[4-[2-[ethyl(oxan-2-ylmethyl)amino]-2-oxoethyl]phenyl]butanamide
SMILESCCCC(=O)Nc1ccc(CC(=O)N(CC)CC2CCCCO2)cc1
InChIInChI=1S/C20H30N2O3/c1-3-7-19(23)21-17-11-9-16(10-12-17)14-20(24)22(4-2)15-18-8-5-6-13-25-18/h9-12,18H,3-8,13-15H2,1-2H3,(H,21,23)
InChIKeyRWIGSPNMOWQXGK-UHFFFAOYSA-N
XLogP3.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(4-methylphenyl)-2-morpholinoacetamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[ethyl(oxan-2-ylmethyl)amino]-2-oxoethyl]phenyl]butanamide?
The IUPAC name of N-[4-[2-[ethyl(oxan-2-ylmethyl)amino]-2-oxoethyl]phenyl]butanamide (CID 46988495) is N-[4-[2-[ethyl(oxan-2-ylmethyl)amino]-2-oxoethyl]phenyl]butanamide.
What is the SMILES notation for N-[4-[2-[ethyl(oxan-2-ylmethyl)amino]-2-oxoethyl]phenyl]butanamide?
The canonical SMILES for N-[4-[2-[ethyl(oxan-2-ylmethyl)amino]-2-oxoethyl]phenyl]butanamide is CCCC(=O)Nc1ccc(CC(=O)N(CC)CC2CCCCO2)cc1.
What is the InChIKey of N-[4-[2-[ethyl(oxan-2-ylmethyl)amino]-2-oxoethyl]phenyl]butanamide?
The InChIKey is RWIGSPNMOWQXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-3-7-19(23)21-17-11-9-16(10-12-17)14-20(24)22(4-2)15-18-8-5-6-13-25-18/h9-12,18H,3-8,13-15H2,1-2H3,(H,21,23).
What are the key properties of N-[4-[2-[ethyl(oxan-2-ylmethyl)amino]-2-oxoethyl]phenyl]butanamide?
N-[4-[2-[ethyl(oxan-2-ylmethyl)amino]-2-oxoethyl]phenyl]butanamide has a molecular weight of 346.47 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[ethyl(oxan-2-ylmethyl)amino]-2-oxoethyl]phenyl]butanamide is sourced from PubChem (CID 46988495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).