2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide

C14H30N2O2 — CID 170038260

IUPAC2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide
SMILESCC(C)NCCCOCCCNC(=O)C(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-12(2)15-8-6-10-18-11-7-9-16-13(17)14(3,4)5/h12,15H,6-11H2,1-5H3,(H,16,17)
InChIKeyOIMSLCQABRDKHX-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.94
Rot. Bonds9

About 2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide

2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide (PubChem CID 170038260) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide
PubChem CID170038260
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide
SMILESCC(C)NCCCOCCCNC(=O)C(C)(C)C
InChIInChI=1S/C14H30N2O2/c1-12(2)15-8-6-10-18-11-7-9-16-13(17)14(3,4)5/h12,15H,6-11H2,1-5H3,(H,16,17)
InChIKeyOIMSLCQABRDKHX-UHFFFAOYSA-N
XLogP1.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-2,2-dimethylpropanamide
CID 60717995
ethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide
CID 166555356
2-methyl-1-[3-(propan-2-ylamino)propoxy]propan-2-ol
CID 106939709
N-(3-methoxypropyl)-2,2-dimethylpropanamide
CID 4152468
methyl 3-[3-(propan-2-ylamino)propoxy]propanoate
CID 106939689
N-ethyl-3-[3-(propan-2-ylamino)propoxy]propanamide
CID 62342053
molecular hydrogen;2,2,3-trimethyl-N-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethyl]butanamide
CID 156820426
2-hydroxy-2-methyl-N-[3-(2-methylpropoxy)propyl]propanamide
CID 104936506
2,2-diiodo-N-(3-methoxypropyl)propanamide
CID 170194646
N-[3-(cyclopropylmethoxy)propyl]-3-(propan-2-ylamino)propanamide
CID 60852522
4,4-dimethyl-1-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]pentan-3-one
CID 59866714
2,2-dimethyl-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 71936802

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide (CID 170038260) is 2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide is CC(C)NCCCOCCCNC(=O)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide?
The InChIKey is OIMSLCQABRDKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-12(2)15-8-6-10-18-11-7-9-16-13(17)14(3,4)5/h12,15H,6-11H2,1-5H3,(H,16,17).
What are the key properties of 2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide?
2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide has a molecular weight of 258.41 g/mol, XLogP of 1.94, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[3-(propan-2-ylamino)propoxy]propyl]propanamide is sourced from PubChem (CID 170038260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).