N,N-dimethyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide

C12H25N3O2 — CID 54957153

IUPACN,N-dimethyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide
SMILESCC(C)CCNC(=O)CNC(C)C(=O)N(C)C
InChIInChI=1S/C12H25N3O2/c1-9(2)6-7-13-11(16)8-14-10(3)12(17)15(4)5/h9-10,14H,6-8H2,1-5H3,(H,13,16)
InChIKeyXMQAMTBJWCVINX-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.22
Rot. Bonds7

About N,N-dimethyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide

N,N-dimethyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide (PubChem CID 54957153) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide
PubChem CID54957153
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC NameN,N-dimethyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide
SMILESCC(C)CCNC(=O)CNC(C)C(=O)N(C)C
InChIInChI=1S/C12H25N3O2/c1-9(2)6-7-13-11(16)8-14-10(3)12(17)15(4)5/h9-10,14H,6-8H2,1-5H3,(H,13,16)
InChIKeyXMQAMTBJWCVINX-UHFFFAOYSA-N
XLogP0.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanoic acid
CID 83194407
N-(3-methylbutyl)-2-(5-methylhexan-2-ylamino)acetamide
CID 60672212
N-(3-methylbutyl)-2-(pentan-2-ylamino)acetamide
CID 60672196
N-(3-methylbutyl)-2-(pentan-3-ylamino)acetamide
CID 60672078
N-(3-methylbutyl)-2-(2-methylpentan-3-ylamino)acetamide
CID 61487192
2-[[[1-(dimethylamino)-1-oxopropan-2-yl]amino]methyl]prop-2-enoic acid
CID 103247604
N,N-dimethyl-2-(propylamino)propanamide
CID 43086179
(2S)-2-(2-hydroxyethylamino)-N,N-dimethylpropanamide
CID 86625703
2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466192
2-[2-(carbamoylamino)ethylamino]-N,N-dimethylpropanamide
CID 83120649
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide
CID 54900963

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide?
The IUPAC name of N,N-dimethyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide (CID 54957153) is N,N-dimethyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide is CC(C)CCNC(=O)CNC(C)C(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide?
The InChIKey is XMQAMTBJWCVINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-9(2)6-7-13-11(16)8-14-10(3)12(17)15(4)5/h9-10,14H,6-8H2,1-5H3,(H,13,16).
What are the key properties of N,N-dimethyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide?
N,N-dimethyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide has a molecular weight of 243.35 g/mol, XLogP of 0.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[2-(3-methylbutylamino)-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 54957153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).