2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-pentylpropanamide

C13H25N3O2 — CID 43420338

IUPAC2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)NCC(=O)NC1CC1
InChIInChI=1S/C13H25N3O2/c1-3-4-5-8-14-13(18)10(2)15-9-12(17)16-11-6-7-11/h10-11,15H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyCWPXXHNOJDYWCK-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.55
Rot. Bonds9

About 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-pentylpropanamide

2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-pentylpropanamide (PubChem CID 43420338) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-pentylpropanamide.

Molecular Properties

Compound Name2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-pentylpropanamide
PubChem CID43420338
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-pentylpropanamide
SMILESCCCCCNC(=O)C(C)NCC(=O)NC1CC1
InChIInChI=1S/C13H25N3O2/c1-3-4-5-8-14-13(18)10(2)15-9-12(17)16-11-6-7-11/h10-11,15H,3-9H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyCWPXXHNOJDYWCK-UHFFFAOYSA-N
XLogP0.55
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574953
2-[[(1R)-1-cycloheptylethyl]amino]-N-pentylpropanamide
CID 81392391
N-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43420298
2-(2-cyclopropylpropylamino)-N-pentylpropanamide
CID 115591539
N-cyclohexyl-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 43398679
(2R)-N-cyclohexyl-2-(hexylamino)propanamide
CID 95357979
N-butyl-2-[[(1R)-1-cyclohexylethyl]amino]acetamide
CID 81384625
N-cyclopropyl-2-[[2-(cyclopropylmethylamino)-2-oxoethyl]amino]propanamide
CID 112623674
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N,N-diethylpropanamide
CID 43420346
1-hexyl-3-[4-(octylcarbamoylamino)cyclohexyl]urea
CID 10200800
(2S)-N-cyclopentyl-2-(pentylcarbamoylamino)propanamide
CID 94782979

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-pentylpropanamide?
The IUPAC name of 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-pentylpropanamide (CID 43420338) is 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-pentylpropanamide.
What is the SMILES notation for 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-pentylpropanamide?
The canonical SMILES for 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-pentylpropanamide is CCCCCNC(=O)C(C)NCC(=O)NC1CC1.
What is the InChIKey of 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-pentylpropanamide?
The InChIKey is CWPXXHNOJDYWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-4-5-8-14-13(18)10(2)15-9-12(17)16-11-6-7-11/h10-11,15H,3-9H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-pentylpropanamide?
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-pentylpropanamide has a molecular weight of 255.36 g/mol, XLogP of 0.55, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-pentylpropanamide is sourced from PubChem (CID 43420338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).