N-[1-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylbutyl]propanamide

C17H29NO — CID 54109922

IUPACN-[1-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylbutyl]propanamide
SMILESCCCCC1=C(C(CC(C)C)NC(=O)CC)CC=C1
InChIInChI=1S/C17H29NO/c1-5-7-9-14-10-8-11-15(14)16(12-13(3)4)18-17(19)6-2/h8,10,13,16H,5-7,9,11-12H2,1-4H3,(H,18,19)
InChIKeyQCGCVPFUGDHGRJ-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.37
Rot. Bonds8

About N-[1-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylbutyl]propanamide

N-[1-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylbutyl]propanamide (PubChem CID 54109922) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is N-[1-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylbutyl]propanamide.

Molecular Properties

Compound NameN-[1-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylbutyl]propanamide
PubChem CID54109922
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC NameN-[1-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylbutyl]propanamide
SMILESCCCCC1=C(C(CC(C)C)NC(=O)CC)CC=C1
InChIInChI=1S/C17H29NO/c1-5-7-9-14-10-8-11-15(14)16(12-13(3)4)18-17(19)6-2/h8,10,13,16H,5-7,9,11-12H2,1-4H3,(H,18,19)
InChIKeyQCGCVPFUGDHGRJ-UHFFFAOYSA-N
XLogP4.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylbutyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylbutyl]propanamide?
The IUPAC name of N-[1-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylbutyl]propanamide (CID 54109922) is N-[1-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylbutyl]propanamide.
What is the SMILES notation for N-[1-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylbutyl]propanamide?
The canonical SMILES for N-[1-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylbutyl]propanamide is CCCCC1=C(C(CC(C)C)NC(=O)CC)CC=C1.
What is the InChIKey of N-[1-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylbutyl]propanamide?
The InChIKey is QCGCVPFUGDHGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-5-7-9-14-10-8-11-15(14)16(12-13(3)4)18-17(19)6-2/h8,10,13,16H,5-7,9,11-12H2,1-4H3,(H,18,19).
What are the key properties of N-[1-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylbutyl]propanamide?
N-[1-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylbutyl]propanamide has a molecular weight of 263.42 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-butylcyclopenta-1,3-dien-1-yl)-3-methylbutyl]propanamide is sourced from PubChem (CID 54109922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).