N-cyclopropyl-3-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide

C12H23N3O2 — CID 79394275

IUPACN-cyclopropyl-3-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
SMILESCC(C)CNC(=O)CNCCC(=O)NC1CC1
InChIInChI=1S/C12H23N3O2/c1-9(2)7-14-12(17)8-13-6-5-11(16)15-10-3-4-10/h9-10,13H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyCWMUVOWJADRWBY-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.02
Rot. Bonds8

About N-cyclopropyl-3-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide

N-cyclopropyl-3-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide (PubChem CID 79394275) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-cyclopropyl-3-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
PubChem CID79394275
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-cyclopropyl-3-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide
SMILESCC(C)CNC(=O)CNCCC(=O)NC1CC1
InChIInChI=1S/C12H23N3O2/c1-9(2)7-14-12(17)8-13-6-5-11(16)15-10-3-4-10/h9-10,13H,3-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyCWMUVOWJADRWBY-UHFFFAOYSA-N
XLogP0.02
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.02
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-methylpropylamino)propanamide
CID 62626467
N-cyclopropyl-3-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 62626302
N-cyclopropyl-3-[[2-oxo-2-(pentan-2-ylamino)ethyl]amino]propanamide
CID 79394119
3-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-ethylpropanamide
CID 62325687
N-cyclopropyl-3-[[2-(ethylamino)acetyl]amino]propanamide
CID 79400683
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765
N-cyclopropyl-3-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]propanamide
CID 79393868
(2S)-2-amino-N-[3-(cyclopropylamino)-3-oxopropyl]-4-methylpentanamide
CID 79401066
N-cyclopropyl-3-(2-methylidenebutylamino)propanamide
CID 79394684
N-cyclopropyl-3-[[2-(prop-2-ynylamino)acetyl]amino]propanamide
CID 79401221
2-(2-methylpropylamino)-N-(oxan-4-yl)acetamide
CID 63098322

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide (CID 79394275) is N-cyclopropyl-3-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide is CC(C)CNC(=O)CNCCC(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide?
The InChIKey is CWMUVOWJADRWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(2)7-14-12(17)8-13-6-5-11(16)15-10-3-4-10/h9-10,13H,3-8H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-cyclopropyl-3-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide?
N-cyclopropyl-3-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide has a molecular weight of 241.33 g/mol, XLogP of 0.02, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[2-(2-methylpropylamino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 79394275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).