N-[2-[butanoyl-[2-(pent-1-en-2-ylamino)ethyl]amino]ethyl]butanamide

C17H33N3O2 — CID 90209279

IUPACN-[2-[butanoyl-[2-(pent-1-en-2-ylamino)ethyl]amino]ethyl]butanamide
SMILESC=C(CCC)NCCN(CCNC(=O)CCC)C(=O)CCC
InChIInChI=1S/C17H33N3O2/c1-5-8-15(4)18-11-13-20(17(22)10-7-3)14-12-19-16(21)9-6-2/h18H,4-14H2,1-3H3,(H,19,21)
InChIKeyZNQSZXKQHQJVCP-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.43
Rot. Bonds13

About N-[2-[butanoyl-[2-(pent-1-en-2-ylamino)ethyl]amino]ethyl]butanamide

N-[2-[butanoyl-[2-(pent-1-en-2-ylamino)ethyl]amino]ethyl]butanamide (PubChem CID 90209279) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-[2-[butanoyl-[2-(pent-1-en-2-ylamino)ethyl]amino]ethyl]butanamide.

Molecular Properties

Compound NameN-[2-[butanoyl-[2-(pent-1-en-2-ylamino)ethyl]amino]ethyl]butanamide
PubChem CID90209279
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-[2-[butanoyl-[2-(pent-1-en-2-ylamino)ethyl]amino]ethyl]butanamide
SMILESC=C(CCC)NCCN(CCNC(=O)CCC)C(=O)CCC
InChIInChI=1S/C17H33N3O2/c1-5-8-15(4)18-11-13-20(17(22)10-7-3)14-12-19-16(21)9-6-2/h18H,4-14H2,1-3H3,(H,19,21)
InChIKeyZNQSZXKQHQJVCP-UHFFFAOYSA-N
XLogP2.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[butanoyl-[2-(pent-1-en-2-ylamino)ethyl]amino]ethyl]butanamide?
The IUPAC name of N-[2-[butanoyl-[2-(pent-1-en-2-ylamino)ethyl]amino]ethyl]butanamide (CID 90209279) is N-[2-[butanoyl-[2-(pent-1-en-2-ylamino)ethyl]amino]ethyl]butanamide.
What is the SMILES notation for N-[2-[butanoyl-[2-(pent-1-en-2-ylamino)ethyl]amino]ethyl]butanamide?
The canonical SMILES for N-[2-[butanoyl-[2-(pent-1-en-2-ylamino)ethyl]amino]ethyl]butanamide is C=C(CCC)NCCN(CCNC(=O)CCC)C(=O)CCC.
What is the InChIKey of N-[2-[butanoyl-[2-(pent-1-en-2-ylamino)ethyl]amino]ethyl]butanamide?
The InChIKey is ZNQSZXKQHQJVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-5-8-15(4)18-11-13-20(17(22)10-7-3)14-12-19-16(21)9-6-2/h18H,4-14H2,1-3H3,(H,19,21).
What are the key properties of N-[2-[butanoyl-[2-(pent-1-en-2-ylamino)ethyl]amino]ethyl]butanamide?
N-[2-[butanoyl-[2-(pent-1-en-2-ylamino)ethyl]amino]ethyl]butanamide has a molecular weight of 311.47 g/mol, XLogP of 2.43, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butanoyl-[2-(pent-1-en-2-ylamino)ethyl]amino]ethyl]butanamide is sourced from PubChem (CID 90209279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).