4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide

C15H31N3O — CID 107401191

IUPAC4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide
SMILESCCN(CCC(C)(NC(C)C)C(N)=O)CC1CCC1
InChIInChI=1S/C15H31N3O/c1-5-18(11-13-7-6-8-13)10-9-15(4,14(16)19)17-12(2)3/h12-13,17H,5-11H2,1-4H3,(H2,16,19)
InChIKeyUGMTYWMICYPZIS-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds9

About 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide

4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide (PubChem CID 107401191) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide
PubChem CID107401191
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide
SMILESCCN(CCC(C)(NC(C)C)C(N)=O)CC1CCC1
InChIInChI=1S/C15H31N3O/c1-5-18(11-13-7-6-8-13)10-9-15(4,14(16)19)17-12(2)3/h12-13,17H,5-11H2,1-4H3,(H2,16,19)
InChIKeyUGMTYWMICYPZIS-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(methylamino)butanamide
CID 107401130
5-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 107401112
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanoic acid
CID 107401133
ethyl 4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutanoate
CID 107401126
2-(cyclopropylamino)-5-[cyclopropylmethyl(ethyl)amino]-2-methylpentanamide
CID 63954453
5-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 106204688
4-[cyclobutylmethyl(ethyl)amino]-2-(cyclopropylamino)-2-methylbutan-1-ol
CID 107402539
4-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-methylbutanoic acid
CID 63955268
4-(cyclopentylmethoxy)-2-methyl-2-(propan-2-ylamino)butanamide
CID 66324174
ethyl 5-[cyclobutylmethyl(ethyl)amino]-2-(ethylamino)-2-methylpentanoate
CID 107401030
3-[cyclobutylmethyl(ethyl)amino]propanehydrazide
CID 107402379
4-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide
CID 63682344

Frequently Asked Questions

What is the IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide (CID 107401191) is 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide is CCN(CCC(C)(NC(C)C)C(N)=O)CC1CCC1.
What is the InChIKey of 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide?
The InChIKey is UGMTYWMICYPZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-18(11-13-7-6-8-13)10-9-15(4,14(16)19)17-12(2)3/h12-13,17H,5-11H2,1-4H3,(H2,16,19).
What are the key properties of 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide?
4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide has a molecular weight of 269.43 g/mol, XLogP of 1.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclobutylmethyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 107401191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).