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

C19H38N2O2 — CID 58848032

IUPACN-butyl-3,3-dimethyl-N-[4-(oxan-4-ylamino)butyl]butanamide
SMILESCCCCN(CCCCNC1CCOCC1)C(=O)CC(C)(C)C
InChIInChI=1S/C19H38N2O2/c1-5-6-12-21(18(22)16-19(2,3)4)13-8-7-11-20-17-9-14-23-15-10-17/h17,20H,5-16H2,1-4H3
InChIKeyBCWOWRGUOIPSEJ-UHFFFAOYSA-N
MW326.53 g/mol
LogP3.60
Rot. Bonds10

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

N-butyl-3,3-dimethyl-N-[4-(oxan-4-ylamino)butyl]butanamide (PubChem CID 58848032) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is N-butyl-3,3-dimethyl-N-[4-(oxan-4-ylamino)butyl]butanamide.

Molecular Properties

Compound NameN-butyl-3,3-dimethyl-N-[4-(oxan-4-ylamino)butyl]butanamide
PubChem CID58848032
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC NameN-butyl-3,3-dimethyl-N-[4-(oxan-4-ylamino)butyl]butanamide
SMILESCCCCN(CCCCNC1CCOCC1)C(=O)CC(C)(C)C
InChIInChI=1S/C19H38N2O2/c1-5-6-12-21(18(22)16-19(2,3)4)13-8-7-11-20-17-9-14-23-15-10-17/h17,20H,5-16H2,1-4H3
InChIKeyBCWOWRGUOIPSEJ-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 53.60
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-[4-(oxan-4-ylamino)butyl]butanamide?
The IUPAC name of N-butyl-3,3-dimethyl-N-[4-(oxan-4-ylamino)butyl]butanamide (CID 58848032) is N-butyl-3,3-dimethyl-N-[4-(oxan-4-ylamino)butyl]butanamide.
What is the SMILES notation for N-butyl-3,3-dimethyl-N-[4-(oxan-4-ylamino)butyl]butanamide?
The canonical SMILES for N-butyl-3,3-dimethyl-N-[4-(oxan-4-ylamino)butyl]butanamide is CCCCN(CCCCNC1CCOCC1)C(=O)CC(C)(C)C.
What is the InChIKey of N-butyl-3,3-dimethyl-N-[4-(oxan-4-ylamino)butyl]butanamide?
The InChIKey is BCWOWRGUOIPSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-5-6-12-21(18(22)16-19(2,3)4)13-8-7-11-20-17-9-14-23-15-10-17/h17,20H,5-16H2,1-4H3.
What are the key properties of N-butyl-3,3-dimethyl-N-[4-(oxan-4-ylamino)butyl]butanamide?
N-butyl-3,3-dimethyl-N-[4-(oxan-4-ylamino)butyl]butanamide has a molecular weight of 326.53 g/mol, XLogP of 3.60, 10 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-[4-(oxan-4-ylamino)butyl]butanamide is sourced from PubChem (CID 58848032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).