N-butyl-3,3-dimethyl-N-[5-(oxan-4-ylamino)pentyl]butanamide

C20H40N2O2 — CID 58849131

IUPACN-butyl-3,3-dimethyl-N-[5-(oxan-4-ylamino)pentyl]butanamide
SMILESCCCCN(CCCCCNC1CCOCC1)C(=O)CC(C)(C)C
InChIInChI=1S/C20H40N2O2/c1-5-6-13-22(19(23)17-20(2,3)4)14-9-7-8-12-21-18-10-15-24-16-11-18/h18,21H,5-17H2,1-4H3
InChIKeyRKMMWDFOBIRRBU-UHFFFAOYSA-N
MW340.55 g/mol
LogP3.99
Rot. Bonds11

About N-butyl-3,3-dimethyl-N-[5-(oxan-4-ylamino)pentyl]butanamide

N-butyl-3,3-dimethyl-N-[5-(oxan-4-ylamino)pentyl]butanamide (PubChem CID 58849131) has the molecular formula C20H40N2O2 and a molecular weight of 340.55 g/mol. Its IUPAC name is N-butyl-3,3-dimethyl-N-[5-(oxan-4-ylamino)pentyl]butanamide.

Molecular Properties

Compound NameN-butyl-3,3-dimethyl-N-[5-(oxan-4-ylamino)pentyl]butanamide
PubChem CID58849131
Molecular FormulaC20H40N2O2
Molecular Weight340.55 g/mol
Exact Mass340.31
IUPAC NameN-butyl-3,3-dimethyl-N-[5-(oxan-4-ylamino)pentyl]butanamide
SMILESCCCCN(CCCCCNC1CCOCC1)C(=O)CC(C)(C)C
InChIInChI=1S/C20H40N2O2/c1-5-6-13-22(19(23)17-20(2,3)4)14-9-7-8-12-21-18-10-15-24-16-11-18/h18,21H,5-17H2,1-4H3
InChIKeyRKMMWDFOBIRRBU-UHFFFAOYSA-N
XLogP3.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-3,3-dimethyl-N-[5-(oxan-4-ylamino)pentyl]butanamide?
The IUPAC name of N-butyl-3,3-dimethyl-N-[5-(oxan-4-ylamino)pentyl]butanamide (CID 58849131) is N-butyl-3,3-dimethyl-N-[5-(oxan-4-ylamino)pentyl]butanamide.
What is the SMILES notation for N-butyl-3,3-dimethyl-N-[5-(oxan-4-ylamino)pentyl]butanamide?
The canonical SMILES for N-butyl-3,3-dimethyl-N-[5-(oxan-4-ylamino)pentyl]butanamide is CCCCN(CCCCCNC1CCOCC1)C(=O)CC(C)(C)C.
What is the InChIKey of N-butyl-3,3-dimethyl-N-[5-(oxan-4-ylamino)pentyl]butanamide?
The InChIKey is RKMMWDFOBIRRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O2/c1-5-6-13-22(19(23)17-20(2,3)4)14-9-7-8-12-21-18-10-15-24-16-11-18/h18,21H,5-17H2,1-4H3.
What are the key properties of N-butyl-3,3-dimethyl-N-[5-(oxan-4-ylamino)pentyl]butanamide?
N-butyl-3,3-dimethyl-N-[5-(oxan-4-ylamino)pentyl]butanamide has a molecular weight of 340.55 g/mol, XLogP of 3.99, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3,3-dimethyl-N-[5-(oxan-4-ylamino)pentyl]butanamide is sourced from PubChem (CID 58849131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).