2-(2-cyclopropylpropylamino)-N-pentylpropanamide

C14H28N2O — CID 115591539

IUPAC2-(2-cyclopropylpropylamino)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)NCC(C)C1CC1
InChIInChI=1S/C14H28N2O/c1-4-5-6-9-15-14(17)12(3)16-10-11(2)13-7-8-13/h11-13,16H,4-10H2,1-3H3,(H,15,17)
InChIKeyQYRWDZDIVGTULG-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.32
Rot. Bonds9

About 2-(2-cyclopropylpropylamino)-N-pentylpropanamide

2-(2-cyclopropylpropylamino)-N-pentylpropanamide (PubChem CID 115591539) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(2-cyclopropylpropylamino)-N-pentylpropanamide.

Molecular Properties

Compound Name2-(2-cyclopropylpropylamino)-N-pentylpropanamide
PubChem CID115591539
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(2-cyclopropylpropylamino)-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)NCC(C)C1CC1
InChIInChI=1S/C14H28N2O/c1-4-5-6-9-15-14(17)12(3)16-10-11(2)13-7-8-13/h11-13,16H,4-10H2,1-3H3,(H,15,17)
InChIKeyQYRWDZDIVGTULG-UHFFFAOYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-pentylpropanamide
CID 43420338
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentylpropanamide
CID 55140066
2-(3-methoxypropylamino)-N-pentylpropanamide
CID 43131874
2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide
CID 81392391
N-butyl-2-(3-cyclopropylpropylamino)propanamide
CID 115638941
N-butyl-2-(2-methoxypropylamino)propanamide
CID 102698101
2-[(3-amino-3-oxopropyl)amino]-N-pentylpropanamide
CID 43553504
N-pentyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 166944629
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-pentylpropanamide
CID 115359404
N-butyl-2-cyclopentylpropanamide
CID 173178636
N-butyl-2-[(3-ethyl-2-hydroxypentyl)amino]propanamide
CID 114168386
N-butyl-2-(thiolan-3-ylmethylamino)propanamide
CID 107295770

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylpropylamino)-N-pentylpropanamide?
The IUPAC name of 2-(2-cyclopropylpropylamino)-N-pentylpropanamide (CID 115591539) is 2-(2-cyclopropylpropylamino)-N-pentylpropanamide.
What is the SMILES notation for 2-(2-cyclopropylpropylamino)-N-pentylpropanamide?
The canonical SMILES for 2-(2-cyclopropylpropylamino)-N-pentylpropanamide is CCCCCNC(=O)C(C)NCC(C)C1CC1.
What is the InChIKey of 2-(2-cyclopropylpropylamino)-N-pentylpropanamide?
The InChIKey is QYRWDZDIVGTULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-5-6-9-15-14(17)12(3)16-10-11(2)13-7-8-13/h11-13,16H,4-10H2,1-3H3,(H,15,17).
What are the key properties of 2-(2-cyclopropylpropylamino)-N-pentylpropanamide?
2-(2-cyclopropylpropylamino)-N-pentylpropanamide has a molecular weight of 240.39 g/mol, XLogP of 2.32, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylpropylamino)-N-pentylpropanamide is sourced from PubChem (CID 115591539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).