N-cyclopropyl-4-[(2-ethyl-2-methyloxan-4-yl)amino]butanamide

C15H28N2O2 — CID 79395003

IUPACN-cyclopropyl-4-[(2-ethyl-2-methyloxan-4-yl)amino]butanamide
SMILESCCC1(C)CC(NCCCC(=O)NC2CC2)CCO1
InChIInChI=1S/C15H28N2O2/c1-3-15(2)11-13(8-10-19-15)16-9-4-5-14(18)17-12-6-7-12/h12-13,16H,3-11H2,1-2H3,(H,17,18)
InChIKeyYDKUFVQZSDZMCB-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.98
Rot. Bonds7

About N-cyclopropyl-4-[(2-ethyl-2-methyloxan-4-yl)amino]butanamide

N-cyclopropyl-4-[(2-ethyl-2-methyloxan-4-yl)amino]butanamide (PubChem CID 79395003) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-cyclopropyl-4-[(2-ethyl-2-methyloxan-4-yl)amino]butanamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(2-ethyl-2-methyloxan-4-yl)amino]butanamide
PubChem CID79395003
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-cyclopropyl-4-[(2-ethyl-2-methyloxan-4-yl)amino]butanamide
SMILESCCC1(C)CC(NCCCC(=O)NC2CC2)CCO1
InChIInChI=1S/C15H28N2O2/c1-3-15(2)11-13(8-10-19-15)16-9-4-5-14(18)17-12-6-7-12/h12-13,16H,3-11H2,1-2H3,(H,17,18)
InChIKeyYDKUFVQZSDZMCB-UHFFFAOYSA-N
XLogP1.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.98
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-cyclopropyl-4-(2,6-dioxaspiro[4.5]decan-9-ylamino)butanamide
CID 79903932
N-cyclopropyl-4-[(4,4-dimethylcyclohexyl)amino]butanamide
CID 79032428
2-ethyl-2-methyl-N-(4,4,4-trifluorobutyl)oxan-4-amine
CID 115516369
N-cyclopropyl-4-[(2-methyloxan-4-yl)amino]butanamide
CID 79393847
N-cyclopropyl-2-[(2,2-diethyloxan-4-yl)amino]acetamide
CID 83032670
tert-butyl N-[2-[(2-ethyl-2-methyloxan-4-yl)amino]ethyl]-N-methylcarbamate
CID 107244992
N-(2,2-dimethyloxan-4-yl)butanamide
CID 115563895
2-ethyl-2-methyl-N-[3-(triazol-1-yl)propyl]oxan-4-amine
CID 113412524
2-[(2,2-diethyloxan-4-yl)amino]-N-(oxan-4-yl)acetamide
CID 83036427
4-(1-oxa-9-thiaspiro[5.5]undecan-4-ylamino)butanoic acid
CID 79894426
N-cyclopropyl-4-(propylamino)butanamide
CID 79394678
2-ethyl-2-methyl-N-(2-methyl-2-methylsulfonylpropyl)oxan-4-amine
CID 79552253

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(2-ethyl-2-methyloxan-4-yl)amino]butanamide?
The IUPAC name of N-cyclopropyl-4-[(2-ethyl-2-methyloxan-4-yl)amino]butanamide (CID 79395003) is N-cyclopropyl-4-[(2-ethyl-2-methyloxan-4-yl)amino]butanamide.
What is the SMILES notation for N-cyclopropyl-4-[(2-ethyl-2-methyloxan-4-yl)amino]butanamide?
The canonical SMILES for N-cyclopropyl-4-[(2-ethyl-2-methyloxan-4-yl)amino]butanamide is CCC1(C)CC(NCCCC(=O)NC2CC2)CCO1.
What is the InChIKey of N-cyclopropyl-4-[(2-ethyl-2-methyloxan-4-yl)amino]butanamide?
The InChIKey is YDKUFVQZSDZMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-3-15(2)11-13(8-10-19-15)16-9-4-5-14(18)17-12-6-7-12/h12-13,16H,3-11H2,1-2H3,(H,17,18).
What are the key properties of N-cyclopropyl-4-[(2-ethyl-2-methyloxan-4-yl)amino]butanamide?
N-cyclopropyl-4-[(2-ethyl-2-methyloxan-4-yl)amino]butanamide has a molecular weight of 268.40 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(2-ethyl-2-methyloxan-4-yl)amino]butanamide is sourced from PubChem (CID 79395003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).