3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide

C11H23N3O2 — CID 64678840

IUPAC3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide
SMILESCCCNC(=O)CCNC(=O)CC(C)(C)N
InChIInChI=1S/C11H23N3O2/c1-4-6-13-9(15)5-7-14-10(16)8-11(2,3)12/h4-8,12H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyJUYHSKQQDYREJK-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.15
Rot. Bonds7

About 3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide

3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide (PubChem CID 64678840) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide.

Molecular Properties

Compound Name3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide
PubChem CID64678840
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Name3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide
SMILESCCCNC(=O)CCNC(=O)CC(C)(C)N
InChIInChI=1S/C11H23N3O2/c1-4-6-13-9(15)5-7-14-10(16)8-11(2,3)12/h4-8,12H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyJUYHSKQQDYREJK-UHFFFAOYSA-N
XLogP0.15
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 76927682
N'-(2-amino-2-methylpropyl)-N-propylpentanediamide
CID 119630026
N'-(2-amino-2-methylpropyl)-N-propylpentanediamide;hydrochloride
CID 119630025
3-amino-N-[3-(dimethylamino)-3-oxopropyl]-3-methylbutanamide
CID 64684461
3-amino-N-[2-[ethyl(propyl)amino]ethyl]-3-methylbutanamide
CID 103814926
3-amino-3-methyl-N-(3-propoxypropyl)butanamide
CID 82940158
6-[(3-amino-3-methylbutanoyl)amino]hexanoic acid
CID 64677557
3-amino-3-methyl-N-[2-(methylsulfamoyl)ethyl]butanamide
CID 106336943
3-amino-N-(5-hydroxypentyl)-3-methylbutanamide
CID 107317591
3-amino-N-(2,2-dimethylpentyl)-3-methylbutanamide
CID 115155111
ethyl 4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butanoate
CID 61149555
3-amino-N-(6-hydroxyhexyl)-3-methylbutanamide
CID 107842436

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide?
The IUPAC name of 3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide (CID 64678840) is 3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide.
What is the SMILES notation for 3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide?
The canonical SMILES for 3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide is CCCNC(=O)CCNC(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide?
The InChIKey is JUYHSKQQDYREJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-4-6-13-9(15)5-7-14-10(16)8-11(2,3)12/h4-8,12H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of 3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide?
3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide has a molecular weight of 229.32 g/mol, XLogP of 0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide is sourced from PubChem (CID 64678840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).