2-[3-(4-aminocyclohexyl)propanoylamino]-N,N-dimethylpropanamide

C14H27N3O2 — CID 55116663

IUPAC2-[3-(4-aminocyclohexyl)propanoylamino]-N,N-dimethylpropanamide
SMILESCC(NC(=O)CCC1CCC(N)CC1)C(=O)N(C)C
InChIInChI=1S/C14H27N3O2/c1-10(14(19)17(2)3)16-13(18)9-6-11-4-7-12(15)8-5-11/h10-12H,4-9,15H2,1-3H3,(H,16,18)
InChIKeyDVZVDILQTDLCHW-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.88
Rot. Bonds5

About 2-[3-(4-aminocyclohexyl)propanoylamino]-N,N-dimethylpropanamide

2-[3-(4-aminocyclohexyl)propanoylamino]-N,N-dimethylpropanamide (PubChem CID 55116663) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[3-(4-aminocyclohexyl)propanoylamino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[3-(4-aminocyclohexyl)propanoylamino]-N,N-dimethylpropanamide
PubChem CID55116663
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[3-(4-aminocyclohexyl)propanoylamino]-N,N-dimethylpropanamide
SMILESCC(NC(=O)CCC1CCC(N)CC1)C(=O)N(C)C
InChIInChI=1S/C14H27N3O2/c1-10(14(19)17(2)3)16-13(18)9-6-11-4-7-12(15)8-5-11/h10-12H,4-9,15H2,1-3H3,(H,16,18)
InChIKeyDVZVDILQTDLCHW-UHFFFAOYSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-aminocyclohexyl)-N-[1-(dimethylamino)propan-2-yl]propanamide
CID 82949436
3-(4-aminocyclohexyl)-N-(3-methylpentan-2-yl)propanamide
CID 55117162
2-(3-aminopropanoylamino)-N,N-dimethylpropanamide
CID 43579388
(2R)-N,N-dimethyl-2-[3-[(2S)-oxolan-2-yl]propanoylamino]propanamide
CID 94114407
2-[3-(cyclopropylamino)propanoylamino]-N,N-dimethylpropanamide
CID 60867427
5-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpentanamide
CID 82012313
3-(4-aminocyclohexyl)-N-[4-[methyl(propan-2-yl)amino]butyl]propanamide
CID 62781114
N-[2-[[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]cyclopropanecarboxamide
CID 94191433
3-(4-aminocyclohexyl)-N-methyl-N-[3-(methylamino)-3-oxopropyl]propanamide
CID 106918215
2-[3-(4-aminocyclohexyl)propanoylamino]-2-methylpropanamide
CID 62782083
3-cyclohexyl-N-(1-hydroxypropan-2-yl)propanamide
CID 43418810
2-(3-cyclopropylpropanoylamino)-3-methylbutanoic acid
CID 115729568

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-aminocyclohexyl)propanoylamino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[3-(4-aminocyclohexyl)propanoylamino]-N,N-dimethylpropanamide (CID 55116663) is 2-[3-(4-aminocyclohexyl)propanoylamino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[3-(4-aminocyclohexyl)propanoylamino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[3-(4-aminocyclohexyl)propanoylamino]-N,N-dimethylpropanamide is CC(NC(=O)CCC1CCC(N)CC1)C(=O)N(C)C.
What is the InChIKey of 2-[3-(4-aminocyclohexyl)propanoylamino]-N,N-dimethylpropanamide?
The InChIKey is DVZVDILQTDLCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-10(14(19)17(2)3)16-13(18)9-6-11-4-7-12(15)8-5-11/h10-12H,4-9,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[3-(4-aminocyclohexyl)propanoylamino]-N,N-dimethylpropanamide?
2-[3-(4-aminocyclohexyl)propanoylamino]-N,N-dimethylpropanamide has a molecular weight of 269.39 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-aminocyclohexyl)propanoylamino]-N,N-dimethylpropanamide is sourced from PubChem (CID 55116663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).