2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-propylpropanamide

C12H25N3O2 — CID 60695704

IUPAC2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC(=O)N(C)C(C)C
InChIInChI=1S/C12H25N3O2/c1-6-7-13-12(17)10(4)14-8-11(16)15(5)9(2)3/h9-10,14H,6-8H2,1-5H3,(H,13,17)
InChIKeyZCGDHRDGYDSQES-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.36
Rot. Bonds7

About 2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-propylpropanamide

2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-propylpropanamide (PubChem CID 60695704) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-propylpropanamide
PubChem CID60695704
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)NCC(=O)N(C)C(C)C
InChIInChI=1S/C12H25N3O2/c1-6-7-13-12(17)10(4)14-8-11(16)15(5)9(2)3/h9-10,14H,6-8H2,1-5H3,(H,13,17)
InChIKeyZCGDHRDGYDSQES-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

N-butyl-2-[[2-(dimethylamino)-2-oxoethyl]amino]propanamide
CID 43243844
2-(heptan-2-ylamino)-N-methyl-N-propan-2-ylacetamide
CID 60688139
2-(dicyclopropylmethylamino)-N-methyl-N-propan-2-ylacetamide
CID 61479609
2-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]-N-(2-methoxyethyl)propanamide
CID 113407019
2-[[3-(dimethylamino)-2-hydroxypropyl]amino]-N-propylpropanamide
CID 61477002
2-[[3-(butan-2-ylamino)-3-oxopropyl]amino]-N-propylpropanamide
CID 54901154
2-(3-hydroxybutylamino)-N-propylpropanamide
CID 64913708
2-(2-cyanopropylamino)-N-propylpropanamide
CID 61477003
2-[[2-(azepan-1-yl)-2-oxoethyl]amino]-N-propylpropanamide
CID 60695646
2-[[1-(dimethylamino)-1-oxopropan-2-yl]amino]-N-propylpropanamide
CID 60677309
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-propylpropanamide
CID 62976116
2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]amino]-N-ethylpropanamide
CID 61488606

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-propylpropanamide?
The IUPAC name of 2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-propylpropanamide (CID 60695704) is 2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-propylpropanamide.
What is the SMILES notation for 2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-propylpropanamide?
The canonical SMILES for 2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-propylpropanamide is CCCNC(=O)C(C)NCC(=O)N(C)C(C)C.
What is the InChIKey of 2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-propylpropanamide?
The InChIKey is ZCGDHRDGYDSQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-6-7-13-12(17)10(4)14-8-11(16)15(5)9(2)3/h9-10,14H,6-8H2,1-5H3,(H,13,17).
What are the key properties of 2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-propylpropanamide?
2-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-propylpropanamide 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-[[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]-N-propylpropanamide is sourced from PubChem (CID 60695704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).