3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide

C12H23N3O2 — CID 113410047

IUPAC3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide
SMILESCC(C)NC(=O)CCNC(=O)CCNC1CC1
InChIInChI=1S/C12H23N3O2/c1-9(2)15-12(17)6-8-14-11(16)5-7-13-10-3-4-10/h9-10,13H,3-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyZXOQYOJKVCHGSJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.16
Rot. Bonds8

About 3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide

3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide (PubChem CID 113410047) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide
PubChem CID113410047
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide
SMILESCC(C)NC(=O)CCNC(=O)CCNC1CC1
InChIInChI=1S/C12H23N3O2/c1-9(2)15-12(17)6-8-14-11(16)5-7-13-10-3-4-10/h9-10,13H,3-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyZXOQYOJKVCHGSJ-UHFFFAOYSA-N
XLogP0.16
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 ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(butan-2-ylamino)-3-oxopropyl]-3-(cyclopropylamino)propanamide
CID 54901207
3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide
CID 113409685
N-propan-2-yl-3-[(4-propan-2-ylcycloheptyl)amino]propanamide
CID 115756514
N-propan-2-yl-3-(spiro[4.5]decan-8-ylamino)propanamide
CID 114817884
3-[(3,4-dimethylcyclohexyl)amino]-N-propan-2-ylpropanamide
CID 64742875
3-(cyclopropylamino)-N-(4-methylpentyl)propanamide
CID 61043178
3-(cyclopropylamino)-N-(2-propan-2-yloxyethyl)propanamide
CID 104761100
3-[(4-propan-2-ylcycloheptyl)amino]-N-propylpropanamide
CID 65091127
N-butyl-3-(cyclopentylamino)propanamide
CID 109012177
N,N-dimethyl-4-[[3-oxo-3-(propan-2-ylamino)propyl]amino]piperidine-1-carboxamide
CID 115899595
3-[[(1R,2R)-2-hydroxycyclopentyl]amino]-N-propan-2-ylpropanamide
CID 102734013
N-butan-2-yl-3-(cyclohexylamino)propanamide
CID 60956493

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide?
The IUPAC name of 3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide (CID 113410047) is 3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide.
What is the SMILES notation for 3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide?
The canonical SMILES for 3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide is CC(C)NC(=O)CCNC(=O)CCNC1CC1.
What is the InChIKey of 3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide?
The InChIKey is ZXOQYOJKVCHGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-9(2)15-12(17)6-8-14-11(16)5-7-13-10-3-4-10/h9-10,13H,3-8H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide?
3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide has a molecular weight of 241.33 g/mol, XLogP of 0.16, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylamino)-N-[3-oxo-3-(propan-2-ylamino)propyl]propanamide is sourced from PubChem (CID 113410047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).