N'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide

C18H35N3O2 — CID 46993948

IUPACN'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide
SMILESCCN(CC)CCCNC(=O)CCC(=O)NC1CCCCCC1
InChIInChI=1S/C18H35N3O2/c1-3-21(4-2)15-9-14-19-17(22)12-13-18(23)20-16-10-7-5-6-8-11-16/h16H,3-15H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyGDOJSQFZUJPLFK-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.45
Rot. Bonds10

About N'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide

N'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide (PubChem CID 46993948) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is N'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide.

Molecular Properties

Compound NameN'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide
PubChem CID46993948
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC NameN'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide
SMILESCCN(CC)CCCNC(=O)CCC(=O)NC1CCCCCC1
InChIInChI=1S/C18H35N3O2/c1-3-21(4-2)15-9-14-19-17(22)12-13-18(23)20-16-10-7-5-6-8-11-16/h16H,3-15H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyGDOJSQFZUJPLFK-UHFFFAOYSA-N
XLogP2.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.45
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-3-[3-(diethylamino)propylamino]propanamide
CID 55098346
N-[3-(diethylamino)propyl]-N'-[(1R,2S,3S)-2,3-dimethylcyclohexyl]butanediamide
CID 11896621
N-[3-(diethylamino)propyl]-4-oxopentanamide
CID 60638247
3-[butyl(2-hydroxyethyl)amino]-N-cyclohexylpropanamide
CID 62016596
N-[3-(diethylamino)propyl]-3-piperidin-2-ylpropanamide
CID 62210496
N-cycloheptyl-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685926
N'-cyclododecyl-N-(3-methylbutyl)butanediamide
CID 3884403
N-cyclohexyl-3-(dipropylamino)propanamide
CID 109014002
3-[[4-(cyclopentylamino)-4-oxobutanoyl]amino]propanoic acid
CID 50968880
N-cyclohexyl-3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
CID 78964192
N-cyclohexyl-2-[5-(diethylamino)pentan-2-ylamino]acetamide
CID 43179866
N-cyclopropyl-3-[2-(diethylamino)ethylamino]propanamide
CID 62627556

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide?
The IUPAC name of N'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide (CID 46993948) is N'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide.
What is the SMILES notation for N'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide?
The canonical SMILES for N'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide is CCN(CC)CCCNC(=O)CCC(=O)NC1CCCCCC1.
What is the InChIKey of N'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide?
The InChIKey is GDOJSQFZUJPLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-3-21(4-2)15-9-14-19-17(22)12-13-18(23)20-16-10-7-5-6-8-11-16/h16H,3-15H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide?
N'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide has a molecular weight of 325.50 g/mol, XLogP of 2.45, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide is sourced from PubChem (CID 46993948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).