2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide

C12H25N3O2 — CID 54900963

IUPAC2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide
SMILESCCC(C)NC(=O)CCNC(C)C(=O)N(C)C
InChIInChI=1S/C12H25N3O2/c1-6-9(2)14-11(16)7-8-13-10(3)12(17)15(4)5/h9-10,13H,6-8H2,1-5H3,(H,14,16)
InChIKeyKKZLQVRZGINEBG-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.36
Rot. Bonds7

About 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide

2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide (PubChem CID 54900963) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide
PubChem CID54900963
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide
SMILESCCC(C)NC(=O)CCNC(C)C(=O)N(C)C
InChIInChI=1S/C12H25N3O2/c1-6-9(2)14-11(16)7-8-13-10(3)12(17)15(4)5/h9-10,13H,6-8H2,1-5H3,(H,14,16)
InChIKeyKKZLQVRZGINEBG-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide
CID 54901154
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-(3-methylbutyl)propanamide
CID 61022907
N,N-dimethyl-2-(propylamino)propanamide
CID 43086179
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanoic acid
CID 64667377
N-[(2R)-butan-2-yl]-3-[[(2R)-3,3-dimethylbutan-2-yl]amino]propanamide
CID 97230749
N-[(2S)-butan-2-yl]-3-[[(2S)-3,3-dimethylbutan-2-yl]amino]propanamide
CID 97230748
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]butanamide
CID 62899086
(2S)-2-(2-hydroxyethylamino)-N,N-dimethylpropanamide
CID 86625703
N-butan-2-yl-3-[1-(1-methylcyclopropyl)ethylamino]propanamide
CID 61022080
3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915
N-butan-2-yl-3-(diethylcarbamoylamino)propanamide
CID 115589357
methyl N-[3-(butan-2-ylamino)-3-oxopropyl]carbamate
CID 115590026

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide (CID 54900963) is 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide is CCC(C)NC(=O)CCNC(C)C(=O)N(C)C.
What is the InChIKey of 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide?
The InChIKey is KKZLQVRZGINEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-6-9(2)14-11(16)7-8-13-10(3)12(17)15(4)5/h9-10,13H,6-8H2,1-5H3,(H,14,16).
What are the key properties of 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide?
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide has a molecular weight of 243.35 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 54900963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).