N'-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanediamide

C10H20N4O3 — CID 166704062

IUPACN'-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanediamide
SMILESCNC(=O)CC(NC(=O)CNC(C)C)C(N)=O
InChIInChI=1S/C10H20N4O3/c1-6(2)13-5-9(16)14-7(10(11)17)4-8(15)12-3/h6-7,13H,4-5H2,1-3H3,(H2,11,17)(H,12,15)(H,14,16)
InChIKeyXLCVWUJJQAYOAF-UHFFFAOYSA-N
MW244.29 g/mol
LogP-1.91
Rot. Bonds7

About N'-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanediamide

N'-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanediamide (PubChem CID 166704062) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is N'-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanediamide.

Molecular Properties

Compound NameN'-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanediamide
PubChem CID166704062
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC NameN'-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanediamide
SMILESCNC(=O)CC(NC(=O)CNC(C)C)C(N)=O
InChIInChI=1S/C10H20N4O3/c1-6(2)13-5-9(16)14-7(10(11)17)4-8(15)12-3/h6-7,13H,4-5H2,1-3H3,(H2,11,17)(H,12,15)(H,14,16)
InChIKeyXLCVWUJJQAYOAF-UHFFFAOYSA-N
XLogP-1.91
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-1.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-4-oxo-2-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 61158475
3-[[2-(propan-2-ylamino)acetyl]amino]butanoic acid
CID 61160050
N'-propan-2-yl-2-(propan-2-ylamino)butanediamide
CID 66431400
methyl 2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanoate
CID 60691190
N-(1-hydroxypropan-2-yl)-2-(propan-2-ylamino)acetamide
CID 60841467
(2S)-2-phenyl-2-[[2-(propan-2-ylamino)acetyl]amino]acetamide
CID 66657978
3-methyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]butanamide
CID 103914253
N-(4-hydroxybutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 83176839
2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetamide
CID 174356714
N',2-dimethylpentanediamide
CID 21268064
2-[(1-amino-1-hydroxyiminopropan-2-yl)amino]-N-propan-2-ylacetamide
CID 77030474
2-(4-methoxyanilino)-N'-methylbutanediamide
CID 66429484

Frequently Asked Questions

What is the IUPAC name of N'-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanediamide?
The IUPAC name of N'-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanediamide (CID 166704062) is N'-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanediamide.
What is the SMILES notation for N'-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanediamide?
The canonical SMILES for N'-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanediamide is CNC(=O)CC(NC(=O)CNC(C)C)C(N)=O.
What is the InChIKey of N'-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanediamide?
The InChIKey is XLCVWUJJQAYOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-6(2)13-5-9(16)14-7(10(11)17)4-8(15)12-3/h6-7,13H,4-5H2,1-3H3,(H2,11,17)(H,12,15)(H,14,16).
What are the key properties of N'-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanediamide?
N'-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanediamide has a molecular weight of 244.29 g/mol, XLogP of -1.91, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-2-[[2-(propan-2-ylamino)acetyl]amino]butanediamide is sourced from PubChem (CID 166704062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).