N-(ethylcarbamoyl)-2-[(1-propylcyclopropyl)methylamino]propanamide

C13H25N3O2 — CID 113256759

IUPACN-(ethylcarbamoyl)-2-[(1-propylcyclopropyl)methylamino]propanamide
SMILESCCCC1(CNC(C)C(=O)NC(=O)NCC)CC1
InChIInChI=1S/C13H25N3O2/c1-4-6-13(7-8-13)9-15-10(3)11(17)16-12(18)14-5-2/h10,15H,4-9H2,1-3H3,(H2,14,16,17,18)
InChIKeyXHVPODHFBZJAEL-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.39
Rot. Bonds7

About N-(ethylcarbamoyl)-2-[(1-propylcyclopropyl)methylamino]propanamide

N-(ethylcarbamoyl)-2-[(1-propylcyclopropyl)methylamino]propanamide (PubChem CID 113256759) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[(1-propylcyclopropyl)methylamino]propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[(1-propylcyclopropyl)methylamino]propanamide
PubChem CID113256759
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC NameN-(ethylcarbamoyl)-2-[(1-propylcyclopropyl)methylamino]propanamide
SMILESCCCC1(CNC(C)C(=O)NC(=O)NCC)CC1
InChIInChI=1S/C13H25N3O2/c1-4-6-13(7-8-13)9-15-10(3)11(17)16-12(18)14-5-2/h10,15H,4-9H2,1-3H3,(H2,14,16,17,18)
InChIKeyXHVPODHFBZJAEL-UHFFFAOYSA-N
XLogP1.39
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(ethylcarbamoyl)-2-[(1-methylcyclopropyl)methylamino]propanamide
CID 103724729
3-[[1-(ethylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 43466733
2-(cyclopentylmethylamino)-N-(ethylcarbamoyl)propanamide
CID 43317222
N-(ethylcarbamoyl)-2-(2-hydroxyethylamino)propanamide
CID 43389341
N-(ethylcarbamoyl)-2-(3-hydroxybutylamino)propanamide
CID 64913519
N-(ethylcarbamoyl)-2-[(3-hydroxy-2-methylpropyl)amino]propanamide
CID 65036025
1-propan-2-yl-3-[(1-propylcyclopropyl)methyl]urea
CID 103761309
2-(2,3-dihydroxypropylamino)-N-(ethylcarbamoyl)propanamide
CID 66171216
2-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-N-(methylcarbamoyl)propanamide
CID 65120855
2-[(1-ethylcyclobutyl)methylamino]-N-propylpropanamide
CID 103771878
2-[2-(diethylamino)ethylamino]-N-(ethylcarbamoyl)propanamide
CID 43083312
2-(cycloheptylamino)-N-(ethylcarbamoyl)propanamide
CID 43236392

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[(1-propylcyclopropyl)methylamino]propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[(1-propylcyclopropyl)methylamino]propanamide (CID 113256759) is N-(ethylcarbamoyl)-2-[(1-propylcyclopropyl)methylamino]propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[(1-propylcyclopropyl)methylamino]propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[(1-propylcyclopropyl)methylamino]propanamide is CCCC1(CNC(C)C(=O)NC(=O)NCC)CC1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[(1-propylcyclopropyl)methylamino]propanamide?
The InChIKey is XHVPODHFBZJAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-6-13(7-8-13)9-15-10(3)11(17)16-12(18)14-5-2/h10,15H,4-9H2,1-3H3,(H2,14,16,17,18).
What are the key properties of N-(ethylcarbamoyl)-2-[(1-propylcyclopropyl)methylamino]propanamide?
N-(ethylcarbamoyl)-2-[(1-propylcyclopropyl)methylamino]propanamide has a molecular weight of 255.36 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[(1-propylcyclopropyl)methylamino]propanamide is sourced from PubChem (CID 113256759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).