2-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-ethylpropanamide

C12H25N3O2 — CID 113409920

IUPAC2-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCCC(=O)NC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-6-13-11(17)9(2)14-8-7-10(16)15-12(3,4)5/h9,14H,6-8H2,1-5H3,(H,13,17)(H,15,16)
InChIKeySNBCTMRIUZFRBH-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.41
Rot. Bonds6

About 2-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-ethylpropanamide

2-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-ethylpropanamide (PubChem CID 113409920) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-ethylpropanamide.

Molecular Properties

Compound Name2-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-ethylpropanamide
PubChem CID113409920
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-ethylpropanamide
SMILESCCNC(=O)C(C)NCCC(=O)NC(C)(C)C
InChIInChI=1S/C12H25N3O2/c1-6-13-11(17)9(2)14-8-7-10(16)15-12(3,4)5/h9,14H,6-8H2,1-5H3,(H,13,17)(H,15,16)
InChIKeySNBCTMRIUZFRBH-UHFFFAOYSA-N
XLogP0.41
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(tert-butylamino)-N-ethylpropanamide
CID 146263926
tert-butyl N-[2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl]carbamate
CID 112688735
N-ethyl-2-(3-hydroxypropylamino)propanamide
CID 43392791
(2S,3S)-2-amino-N-[3-(tert-butylamino)-3-oxopropyl]-3-methylpentanamide
CID 103833053
N-tert-butyl-2-methylpropanamide;bis(N-ethyl-2-methylpropanamide)
CID 160609422
N-ethyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43401396
N-ethyl-2-(2-methylsulfanylethylamino)propanamide
CID 60672762
2-(azetidin-3-yl)-N-[3-(tert-butylamino)-3-oxopropyl]propanamide
CID 116678902
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide
CID 54901154
2-[[1-(ethylamino)-1-oxopropan-2-yl]amino]ethyl carbamate
CID 83210549
N-tert-butyl-3-(2-methylbutylamino)propanamide
CID 115887441
2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115574936

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-ethylpropanamide?
The IUPAC name of 2-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-ethylpropanamide (CID 113409920) is 2-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-ethylpropanamide.
What is the SMILES notation for 2-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-ethylpropanamide?
The canonical SMILES for 2-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-ethylpropanamide is CCNC(=O)C(C)NCCC(=O)NC(C)(C)C.
What is the InChIKey of 2-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-ethylpropanamide?
The InChIKey is SNBCTMRIUZFRBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-6-13-11(17)9(2)14-8-7-10(16)15-12(3,4)5/h9,14H,6-8H2,1-5H3,(H,13,17)(H,15,16).
What are the key properties of 2-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-ethylpropanamide?
2-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-ethylpropanamide has a molecular weight of 243.35 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-ethylpropanamide is sourced from PubChem (CID 113409920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).