4-amino-N-ethyl-N'-methyl-4-(3-oxobutyl)heptanediamide;propane

C20H43N3O3 — CID 144742337

IUPAC4-amino-N-ethyl-N'-methyl-4-(3-oxobutyl)heptanediamide;propane
SMILESCCC.CCC.CCNC(=O)CCC(N)(CCC(C)=O)CCC(=O)NC
InChIInChI=1S/C14H27N3O3.2C3H8/c1-4-17-13(20)7-10-14(15,8-5-11(2)18)9-6-12(19)16-3;2*1-3-2/h4-10,15H2,1-3H3,(H,16,19)(H,17,20);2*3H2,1-2H3
InChIKeyFQAPBDDLBWBWNH-UHFFFAOYSA-N
MW373.58 g/mol
LogP3.33
Rot. Bonds10

About 4-amino-N-ethyl-N'-methyl-4-(3-oxobutyl)heptanediamide;propane

4-amino-N-ethyl-N'-methyl-4-(3-oxobutyl)heptanediamide;propane (PubChem CID 144742337) has the molecular formula C20H43N3O3 and a molecular weight of 373.58 g/mol. Its IUPAC name is 4-amino-N-ethyl-N'-methyl-4-(3-oxobutyl)heptanediamide;propane.

Molecular Properties

Compound Name4-amino-N-ethyl-N'-methyl-4-(3-oxobutyl)heptanediamide;propane
PubChem CID144742337
Molecular FormulaC20H43N3O3
Molecular Weight373.58 g/mol
Exact Mass373.33
IUPAC Name4-amino-N-ethyl-N'-methyl-4-(3-oxobutyl)heptanediamide;propane
SMILESCCC.CCC.CCNC(=O)CCC(N)(CCC(C)=O)CCC(=O)NC
InChIInChI=1S/C14H27N3O3.2C3H8/c1-4-17-13(20)7-10-14(15,8-5-11(2)18)9-6-12(19)16-3;2*1-3-2/h4-10,15H2,1-3H3,(H,16,19)(H,17,20);2*3H2,1-2H3
InChIKeyFQAPBDDLBWBWNH-UHFFFAOYSA-N
XLogP3.33
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.58
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-N'-methyl-4-(3-oxobutyl)heptanediamide;propane?
The IUPAC name of 4-amino-N-ethyl-N'-methyl-4-(3-oxobutyl)heptanediamide;propane (CID 144742337) is 4-amino-N-ethyl-N'-methyl-4-(3-oxobutyl)heptanediamide;propane.
What is the SMILES notation for 4-amino-N-ethyl-N'-methyl-4-(3-oxobutyl)heptanediamide;propane?
The canonical SMILES for 4-amino-N-ethyl-N'-methyl-4-(3-oxobutyl)heptanediamide;propane is CCC.CCC.CCNC(=O)CCC(N)(CCC(C)=O)CCC(=O)NC.
What is the InChIKey of 4-amino-N-ethyl-N'-methyl-4-(3-oxobutyl)heptanediamide;propane?
The InChIKey is FQAPBDDLBWBWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3.2C3H8/c1-4-17-13(20)7-10-14(15,8-5-11(2)18)9-6-12(19)16-3;2*1-3-2/h4-10,15H2,1-3H3,(H,16,19)(H,17,20);2*3H2,1-2H3.
What are the key properties of 4-amino-N-ethyl-N'-methyl-4-(3-oxobutyl)heptanediamide;propane?
4-amino-N-ethyl-N'-methyl-4-(3-oxobutyl)heptanediamide;propane has a molecular weight of 373.58 g/mol, XLogP of 3.33, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-N'-methyl-4-(3-oxobutyl)heptanediamide;propane is sourced from PubChem (CID 144742337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).