N-butyl-3,3-dimethyl-N-[2-(oxan-4-ylamino)ethyl]butanamide

C17H34N2O2 — CID 58848057

IUPACN-butyl-3,3-dimethyl-N-[2-(oxan-4-ylamino)ethyl]butanamide
SMILESCCCCN(CCNC1CCOCC1)C(=O)CC(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-5-6-10-19(16(20)14-17(2,3)4)11-9-18-15-7-12-21-13-8-15/h15,18H,5-14H2,1-4H3
InChIKeySLQHGQLADYSAKJ-UHFFFAOYSA-N
MW298.47 g/mol
LogP2.82
Rot. Bonds8

About N-butyl-3,3-dimethyl-N-[2-(oxan-4-ylamino)ethyl]butanamide

N-butyl-3,3-dimethyl-N-[2-(oxan-4-ylamino)ethyl]butanamide (PubChem CID 58848057) has the molecular formula C17H34N2O2 and a molecular weight of 298.47 g/mol. Its IUPAC name is N-butyl-3,3-dimethyl-N-[2-(oxan-4-ylamino)ethyl]butanamide.

Molecular Properties

Compound NameN-butyl-3,3-dimethyl-N-[2-(oxan-4-ylamino)ethyl]butanamide
PubChem CID58848057
Molecular FormulaC17H34N2O2
Molecular Weight298.47 g/mol
Exact Mass298.26
IUPAC NameN-butyl-3,3-dimethyl-N-[2-(oxan-4-ylamino)ethyl]butanamide
SMILESCCCCN(CCNC1CCOCC1)C(=O)CC(C)(C)C
InChIInChI=1S/C17H34N2O2/c1-5-6-10-19(16(20)14-17(2,3)4)11-9-18-15-7-12-21-13-8-15/h15,18H,5-14H2,1-4H3
InChIKeySLQHGQLADYSAKJ-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butyl-3,3-dimethyl-N-[2-(oxan-4-ylamino)ethyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 91922998
CID 91922998
CID 56790354
CID 56790354
CID 56790353
CID 56790353
CID 43649687
CID 43649687
CID 57594956
CID 57594956
CID 58394650
CID 58394650
CID 58848032
CID 58848032
CID 58848353
CID 58848353
CID 58849131
CID 58849131
CID 59205286
CID 59205286
CID 68922402
CID 68922402
CID 70842309
CID 70842309

Frequently Asked Questions

What is the IUPAC name of N-butyl-3,3-dimethyl-N-[2-(oxan-4-ylamino)ethyl]butanamide?
The IUPAC name of N-butyl-3,3-dimethyl-N-[2-(oxan-4-ylamino)ethyl]butanamide (CID 58848057) is N-butyl-3,3-dimethyl-N-[2-(oxan-4-ylamino)ethyl]butanamide.
What is the SMILES notation for N-butyl-3,3-dimethyl-N-[2-(oxan-4-ylamino)ethyl]butanamide?
The canonical SMILES for N-butyl-3,3-dimethyl-N-[2-(oxan-4-ylamino)ethyl]butanamide is CCCCN(CCNC1CCOCC1)C(=O)CC(C)(C)C.
What is the InChIKey of N-butyl-3,3-dimethyl-N-[2-(oxan-4-ylamino)ethyl]butanamide?
The InChIKey is SLQHGQLADYSAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O2/c1-5-6-10-19(16(20)14-17(2,3)4)11-9-18-15-7-12-21-13-8-15/h15,18H,5-14H2,1-4H3.
What are the key properties of N-butyl-3,3-dimethyl-N-[2-(oxan-4-ylamino)ethyl]butanamide?
N-butyl-3,3-dimethyl-N-[2-(oxan-4-ylamino)ethyl]butanamide has a molecular weight of 298.47 g/mol, XLogP of 2.82, 8 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-[2-(oxan-4-ylamino)ethyl]butanamide is sourced from PubChem (CID 58848057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).