2-amino-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide

C12H25N3O2 — CID 76927682

IUPAC2-amino-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide
SMILESCCCNC(=O)CCNC(=O)C(N)C(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-5-7-14-9(16)6-8-15-11(17)10(13)12(2,3)4/h10H,5-8,13H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyXDOUQCSXIZPUSH-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.39
Rot. Bonds6

About 2-amino-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide

2-amino-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide (PubChem CID 76927682) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-amino-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide.

Molecular Properties

Compound Name2-amino-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide
PubChem CID76927682
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-amino-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide
SMILESCCCNC(=O)CCNC(=O)C(N)C(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-5-7-14-9(16)6-8-15-11(17)10(13)12(2,3)4/h10H,5-8,13H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyXDOUQCSXIZPUSH-UHFFFAOYSA-N
XLogP0.39
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 64678840
(2R)-2,4-dihydroxy-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 25171583
(2S)-2-amino-N-[3-oxo-3-(propylamino)propyl]hexanamide
CID 113304795
4-[2-[(2-amino-3,3-dimethylbutanoyl)amino]ethyl]heptanoic acid
CID 77033094
N-(2-acetamidoethyl)-2-amino-3,3-dimethylbutanamide
CID 76893602
(2S)-2-amino-N-(3,3-dimethylbutyl)-3,3-dimethylbutanamide
CID 103808439
(4R)-4-amino-N-propylpentanamide
CID 146234117
2-[4-[(2S)-2-amino-3,3-dimethylbutanoyl]piperazin-1-yl]-N-propylacetamide
CID 61165020
3-(3-methylbutan-2-ylcarbamoylamino)-N-propylpropanamide
CID 60547146
2-amino-N-(3-hydroxypentyl)-3,3-dimethylbutanamide
CID 115751041
2-amino-N-(3-butoxypropyl)-3,3-dimethylbutanamide
CID 115750966
[3-acetyloxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butyl] acetate
CID 130382457

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide?
The IUPAC name of 2-amino-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide (CID 76927682) is 2-amino-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide.
What is the SMILES notation for 2-amino-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide?
The canonical SMILES for 2-amino-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide is CCCNC(=O)CCNC(=O)C(N)C(C)(C)C.
What is the InChIKey of 2-amino-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide?
The InChIKey is XDOUQCSXIZPUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-5-7-14-9(16)6-8-15-11(17)10(13)12(2,3)4/h10H,5-8,13H2,1-4H3,(H,14,16)(H,15,17).
What are the key properties of 2-amino-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide?
2-amino-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide has a molecular weight of 243.35 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethyl-N-[3-oxo-3-(propylamino)propyl]butanamide is sourced from PubChem (CID 76927682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).