3-methyl-N-[2-[methyl-[2-(2-methylpropylcarbamoylamino)ethyl]amino]ethyl]butanamide

C15H32N4O2 — CID 167068474

IUPAC3-methyl-N-[2-[methyl-[2-(2-methylpropylcarbamoylamino)ethyl]amino]ethyl]butanamide
SMILESCC(C)CNC(=O)NCCN(C)CCNC(=O)CC(C)C
InChIInChI=1S/C15H32N4O2/c1-12(2)10-14(20)16-6-8-19(5)9-7-17-15(21)18-11-13(3)4/h12-13H,6-11H2,1-5H3,(H,16,20)(H2,17,18,21)
InChIKeyRWCZXCAXXWLMGZ-UHFFFAOYSA-N
MW300.45 g/mol
LogP1.04
Rot. Bonds10

About 3-methyl-N-[2-[methyl-[2-(2-methylpropylcarbamoylamino)ethyl]amino]ethyl]butanamide

3-methyl-N-[2-[methyl-[2-(2-methylpropylcarbamoylamino)ethyl]amino]ethyl]butanamide (PubChem CID 167068474) has the molecular formula C15H32N4O2 and a molecular weight of 300.45 g/mol. Its IUPAC name is 3-methyl-N-[2-[methyl-[2-(2-methylpropylcarbamoylamino)ethyl]amino]ethyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[2-[methyl-[2-(2-methylpropylcarbamoylamino)ethyl]amino]ethyl]butanamide
PubChem CID167068474
Molecular FormulaC15H32N4O2
Molecular Weight300.45 g/mol
Exact Mass300.25
IUPAC Name3-methyl-N-[2-[methyl-[2-(2-methylpropylcarbamoylamino)ethyl]amino]ethyl]butanamide
SMILESCC(C)CNC(=O)NCCN(C)CCNC(=O)CC(C)C
InChIInChI=1S/C15H32N4O2/c1-12(2)10-14(20)16-6-8-19(5)9-7-17-15(21)18-11-13(3)4/h12-13H,6-11H2,1-5H3,(H,16,20)(H2,17,18,21)
InChIKeyRWCZXCAXXWLMGZ-UHFFFAOYSA-N
XLogP1.04
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[ethyl(methyl)amino]ethyl]-3-methylbutanamide
CID 146890842
1-(2-chloroethyl)-3-(2-methylpropyl)urea
CID 13254213
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
3-methyl-N-[2-[3-methylbutanoyl(3-methylbutyl)amino]ethyl]butanamide
CID 176987317
1-(3-aminopropyl)-3-(2-methylpropyl)urea
CID 117235685
5-[2-[ethyl(methyl)amino]ethylamino]-3-methyl-5-oxopentanoic acid
CID 62963726
1-(2-methylpropyl)-3-(2-sulfanylpropyl)urea
CID 163779477
1-hydroxy-1-methyl-3-(2-methylpropyl)urea
CID 55286879
3-[(butan-2-ylamino)methyl]-N-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-5-methyl-4-oxohexanamide
CID 155715681
3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 166662987
3-methyl-N-(4-methyl-3-oxopentyl)butanamide
CID 153392843
N-[2-(butanoylamino)ethyl]-3-methylbutanamide
CID 108570913

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[methyl-[2-(2-methylpropylcarbamoylamino)ethyl]amino]ethyl]butanamide?
The IUPAC name of 3-methyl-N-[2-[methyl-[2-(2-methylpropylcarbamoylamino)ethyl]amino]ethyl]butanamide (CID 167068474) is 3-methyl-N-[2-[methyl-[2-(2-methylpropylcarbamoylamino)ethyl]amino]ethyl]butanamide.
What is the SMILES notation for 3-methyl-N-[2-[methyl-[2-(2-methylpropylcarbamoylamino)ethyl]amino]ethyl]butanamide?
The canonical SMILES for 3-methyl-N-[2-[methyl-[2-(2-methylpropylcarbamoylamino)ethyl]amino]ethyl]butanamide is CC(C)CNC(=O)NCCN(C)CCNC(=O)CC(C)C.
What is the InChIKey of 3-methyl-N-[2-[methyl-[2-(2-methylpropylcarbamoylamino)ethyl]amino]ethyl]butanamide?
The InChIKey is RWCZXCAXXWLMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O2/c1-12(2)10-14(20)16-6-8-19(5)9-7-17-15(21)18-11-13(3)4/h12-13H,6-11H2,1-5H3,(H,16,20)(H2,17,18,21).
What are the key properties of 3-methyl-N-[2-[methyl-[2-(2-methylpropylcarbamoylamino)ethyl]amino]ethyl]butanamide?
3-methyl-N-[2-[methyl-[2-(2-methylpropylcarbamoylamino)ethyl]amino]ethyl]butanamide has a molecular weight of 300.45 g/mol, XLogP of 1.04, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[methyl-[2-(2-methylpropylcarbamoylamino)ethyl]amino]ethyl]butanamide is sourced from PubChem (CID 167068474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).