N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide

C9H17N3O3 — CID 10680195

IUPACN-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
SMILESCNC(=O)CCNC(=O)CCC(=O)NC
InChIInChI=1S/C9H17N3O3/c1-10-7(13)3-4-9(15)12-6-5-8(14)11-2/h3-6H2,1-2H3,(H,10,13)(H,11,14)(H,12,15)
InChIKeyWXRVGVJIDYVOBL-UHFFFAOYSA-N
MW215.25 g/mol
LogP-1.24
Rot. Bonds6

About N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide

N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide (PubChem CID 10680195) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide.

Molecular Properties

Compound NameN-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
PubChem CID10680195
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC NameN-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide
SMILESCNC(=O)CCNC(=O)CCC(=O)NC
InChIInChI=1S/C9H17N3O3/c1-10-7(13)3-4-9(15)12-6-5-8(14)11-2/h3-6H2,1-2H3,(H,10,13)(H,11,14)(H,12,15)
InChIKeyWXRVGVJIDYVOBL-UHFFFAOYSA-N
XLogP-1.24
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[4-(methylamino)-4-oxobutanoyl]amino]propanoate
CID 170452403
5-hydroxy-N-[3-(methylamino)-3-oxopropyl]pentanamide
CID 79209725
4-chloro-N-[3-(methylamino)-3-oxopropyl]butanamide
CID 63308286
tert-butyl 4-[[3-(methylamino)-3-oxopropyl]amino]-4-oxobutanoate
CID 106707309
3-(carbamoylamino)-N-methylpropanamide
CID 60667661
N'-(6-aminohexyl)-N-methylbutanediamide
CID 155220266
2-[2-[[3-(methylamino)-3-oxopropyl]amino]-2-oxoethyl]sulfanylacetic acid
CID 104569799
3-[2-[2-[2-[[3-(ethylamino)-3-oxopropyl]amino]ethylamino]ethylamino]ethylamino]-N-methylpropanamide
CID 143379058
3-(methylamino)-N-[2-(methylamino)ethyl]propanamide
CID 59688102
N-methyl-3-(propylcarbamothioylamino)propanamide
CID 116508065
ethyl N-[3-(methylamino)-3-oxopropyl]carbamate
CID 60762452
N'-(2-hydroxyethyl)-N-methylhexanediamide;molecular hydrogen
CID 155596032

Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide?
The IUPAC name of N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide (CID 10680195) is N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide.
What is the SMILES notation for N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide?
The canonical SMILES for N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide is CNC(=O)CCNC(=O)CCC(=O)NC.
What is the InChIKey of N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide?
The InChIKey is WXRVGVJIDYVOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3/c1-10-7(13)3-4-9(15)12-6-5-8(14)11-2/h3-6H2,1-2H3,(H,10,13)(H,11,14)(H,12,15).
What are the key properties of N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide?
N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide has a molecular weight of 215.25 g/mol, XLogP of -1.24, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[3-(methylamino)-3-oxopropyl]butanediamide is sourced from PubChem (CID 10680195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).