N-cyclopropyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide

C13H25N3O2 — CID 79394119

IUPACN-cyclopropyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide
SMILESCCCC(C)NC(=O)CNCCC(=O)NC1CC1
InChIInChI=1S/C13H25N3O2/c1-3-4-10(2)15-13(18)9-14-8-7-12(17)16-11-5-6-11/h10-11,14H,3-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyODRUZQJDVGMKJI-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.55
Rot. Bonds9

About N-cyclopropyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide

N-cyclopropyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide (PubChem CID 79394119) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide
PubChem CID79394119
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-cyclopropyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide
SMILESCCCC(C)NC(=O)CNCCC(=O)NC1CC1
InChIInChI=1S/C13H25N3O2/c1-3-4-10(2)15-13(18)9-14-8-7-12(17)16-11-5-6-11/h10-11,14H,3-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyODRUZQJDVGMKJI-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

N-cyclopropyl-3-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide
CID 79394037
N-cyclopropyl-3-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 62626302
N-cyclopropyl-3-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
CID 79394275
N-cyclopropyl-3-(2-methylidenebutylamino)propanamide
CID 79394684
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 62325687
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
N,N-diethyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide
CID 112685329
N-cyclopropyl-3-(2-methylpropylamino)propanamide
CID 62626467
2-(3-hydroxybutylamino)-N-pentan-2-ylacetamide
CID 64911612
N-cyclopropyl-3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide
CID 79393868
N-cyclopropyl-2-(3-hydroxybutylamino)acetamide
CID 64912481
2-(cyclohexylmethylamino)-N-pentan-2-ylacetamide
CID 60687215

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide (CID 79394119) is N-cyclopropyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide is CCCC(C)NC(=O)CNCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide?
The InChIKey is ODRUZQJDVGMKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-3-4-10(2)15-13(18)9-14-8-7-12(17)16-11-5-6-11/h10-11,14H,3-9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-cyclopropyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide?
N-cyclopropyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide 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 N-cyclopropyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide is sourced from PubChem (CID 79394119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).