5-amino-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide

C12H25N3O2 — CID 104685574

IUPAC5-amino-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide
SMILESCC(C)CNC(=O)CNC(=O)C(C)CCCN
InChIInChI=1S/C12H25N3O2/c1-9(2)7-14-11(16)8-15-12(17)10(3)5-4-6-13/h9-10H,4-8,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyYYVYKZBUSOBZHN-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.25
Rot. Bonds8

About 5-amino-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide

5-amino-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide (PubChem CID 104685574) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide
PubChem CID104685574
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name5-amino-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide
SMILESCC(C)CNC(=O)CNC(=O)C(C)CCCN
InChIInChI=1S/C12H25N3O2/c1-9(2)7-14-11(16)8-15-12(17)10(3)5-4-6-13/h9-10H,4-8,13H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyYYVYKZBUSOBZHN-UHFFFAOYSA-N
XLogP0.25
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[2-(ethylamino)-2-oxoethyl]-2-methylpentanamide
CID 104683686
5-amino-N-ethyl-2-methylpentanamide
CID 134525204
5-amino-2-methyl-N-(7-methyloctyl)pentanamide
CID 104684762
(2S)-3-[(5-amino-2-methylpentanoyl)amino]-2-hydroxypropanoic acid
CID 107835763
2-methyl-5-[[2-(2-methylpropylamino)-2-oxoethyl]carbamoylamino]pentanoic acid
CID 104686919
5-amino-2-methyl-N-pentylpentanamide
CID 104683456
6-amino-N-(2-methylpropyl)hexanamide
CID 24696940
4-amino-N-(3-aminopropyl)-2-methylbutanamide
CID 80543775
N-[2-[(7-amino-2-methylhept-1-en-3-yl)amino]-2-oxoethyl]-2-methylheptanamide
CID 163742124
2-(4-aminobutylsulfonyl)-N-(2-methylpropyl)acetamide
CID 82180307
2,5-diamino-N-[2-(ethylamino)-2-oxoethyl]pentanamide
CID 89317284
1-(3-aminopropyl)-3-(2-methylpropyl)urea
CID 117235685

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide?
The IUPAC name of 5-amino-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide (CID 104685574) is 5-amino-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide.
What is the SMILES notation for 5-amino-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide?
The canonical SMILES for 5-amino-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide is CC(C)CNC(=O)CNC(=O)C(C)CCCN.
What is the InChIKey of 5-amino-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide?
The InChIKey is YYVYKZBUSOBZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(2)7-14-11(16)8-15-12(17)10(3)5-4-6-13/h9-10H,4-8,13H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 5-amino-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide?
5-amino-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide has a molecular weight of 243.35 g/mol, XLogP of 0.25, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[2-(2-methylpropylamino)-2-oxoethyl]pentanamide is sourced from PubChem (CID 104685574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).