ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide

C15H34N2O2 — CID 162749925

IUPACethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide
SMILESCC.CCOCCCC(=O)NCCCCNC(C)C
InChIInChI=1S/C13H28N2O2.C2H6/c1-4-17-11-7-8-13(16)15-10-6-5-9-14-12(2)3;1-2/h12,14H,4-11H2,1-3H3,(H,15,16);1-2H3
InChIKeyMQSVZOQJKWGYEE-UHFFFAOYSA-N
MW274.45 g/mol
LogP2.72
Rot. Bonds11

About ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide

ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide (PubChem CID 162749925) has the molecular formula C15H34N2O2 and a molecular weight of 274.45 g/mol. Its IUPAC name is ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide.

Molecular Properties

Compound Nameethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide
PubChem CID162749925
Molecular FormulaC15H34N2O2
Molecular Weight274.45 g/mol
Exact Mass274.26
IUPAC Nameethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide
SMILESCC.CCOCCCC(=O)NCCCCNC(C)C
InChIInChI=1S/C13H28N2O2.C2H6/c1-4-17-11-7-8-13(16)15-10-6-5-9-14-12(2)3;1-2/h12,14H,4-11H2,1-3H3,(H,15,16);1-2H3
InChIKeyMQSVZOQJKWGYEE-UHFFFAOYSA-N
XLogP2.72
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 52.72
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-(2-ethoxyethyl)-4-(propan-2-ylamino)butanamide
CID 60850792
ethane;N-[3-[2-[2-[3-(propan-2-ylamino)propoxy]ethoxy]ethoxy]propyl]propanamide
CID 166555356
N-butyl-4-(propan-2-ylamino)butanamide
CID 60851986
4-ethoxy-N-(2-hydroxyethyl)butanamide
CID 112728032
2-ethoxy-N-[8-(propan-2-ylamino)octyl]acetamide;molecular hydrogen
CID 162749920
molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide
CID 166554721
N-[2-[2-(6-methylheptylamino)-2-oxoethoxy]ethyl]-4-(propan-2-ylamino)butanamide
CID 170416222
N-ethyl-3-[3-(propan-2-ylamino)propoxy]propanamide
CID 62342053
4-amino-N-(3-ethoxypropyl)pentanamide;hydrochloride
CID 120558779
4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 146693023
N-(5-methylhexyl)-5-(propan-2-ylamino)pentanamide
CID 130327808
4-ethoxy-N-pent-4-ynylbutanamide
CID 103708929

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide?
The IUPAC name of ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide (CID 162749925) is ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide.
What is the SMILES notation for ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide?
The canonical SMILES for ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide is CC.CCOCCCC(=O)NCCCCNC(C)C.
What is the InChIKey of ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide?
The InChIKey is MQSVZOQJKWGYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2.C2H6/c1-4-17-11-7-8-13(16)15-10-6-5-9-14-12(2)3;1-2/h12,14H,4-11H2,1-3H3,(H,15,16);1-2H3.
What are the key properties of ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide?
ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide has a molecular weight of 274.45 g/mol, XLogP of 2.72, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethoxy-N-[4-(propan-2-ylamino)butyl]butanamide is sourced from PubChem (CID 162749925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).