N-(2-amino-2-oxoethyl)-3-[2-[3-(2,2-dimethylpropylamino)-3-oxopropoxy]ethoxy]propanamide

C15H29N3O5 — CID 175915335

IUPACN-(2-amino-2-oxoethyl)-3-[2-[3-(2,2-dimethylpropylamino)-3-oxopropoxy]ethoxy]propanamide
SMILESCC(C)(C)CNC(=O)CCOCCOCCC(=O)NCC(N)=O
InChIInChI=1S/C15H29N3O5/c1-15(2,3)11-18-14(21)5-7-23-9-8-22-6-4-13(20)17-10-12(16)19/h4-11H2,1-3H3,(H2,16,19)(H,17,20)(H,18,21)
InChIKeyCUDHQDOHBRUYAW-UHFFFAOYSA-N
MW331.41 g/mol
LogP-0.44
Rot. Bonds12

About N-(2-amino-2-oxoethyl)-3-[2-[3-(2,2-dimethylpropylamino)-3-oxopropoxy]ethoxy]propanamide

N-(2-amino-2-oxoethyl)-3-[2-[3-(2,2-dimethylpropylamino)-3-oxopropoxy]ethoxy]propanamide (PubChem CID 175915335) has the molecular formula C15H29N3O5 and a molecular weight of 331.41 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-3-[2-[3-(2,2-dimethylpropylamino)-3-oxopropoxy]ethoxy]propanamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-3-[2-[3-(2,2-dimethylpropylamino)-3-oxopropoxy]ethoxy]propanamide
PubChem CID175915335
Molecular FormulaC15H29N3O5
Molecular Weight331.41 g/mol
Exact Mass331.21
IUPAC NameN-(2-amino-2-oxoethyl)-3-[2-[3-(2,2-dimethylpropylamino)-3-oxopropoxy]ethoxy]propanamide
SMILESCC(C)(C)CNC(=O)CCOCCOCCC(=O)NCC(N)=O
InChIInChI=1S/C15H29N3O5/c1-15(2,3)11-18-14(21)5-7-23-9-8-22-6-4-13(20)17-10-12(16)19/h4-11H2,1-3H3,(H2,16,19)(H,17,20)(H,18,21)
InChIKeyCUDHQDOHBRUYAW-UHFFFAOYSA-N
XLogP-0.44
TPSA119.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-3-[2-[3-(2,2-dimethylpropylamino)-3-oxopropoxy]ethoxy]propanamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-3-[2-[3-(2,2-dimethylpropylamino)-3-oxopropoxy]ethoxy]propanamide (CID 175915335) is N-(2-amino-2-oxoethyl)-3-[2-[3-(2,2-dimethylpropylamino)-3-oxopropoxy]ethoxy]propanamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-3-[2-[3-(2,2-dimethylpropylamino)-3-oxopropoxy]ethoxy]propanamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-3-[2-[3-(2,2-dimethylpropylamino)-3-oxopropoxy]ethoxy]propanamide is CC(C)(C)CNC(=O)CCOCCOCCC(=O)NCC(N)=O.
What is the InChIKey of N-(2-amino-2-oxoethyl)-3-[2-[3-(2,2-dimethylpropylamino)-3-oxopropoxy]ethoxy]propanamide?
The InChIKey is CUDHQDOHBRUYAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O5/c1-15(2,3)11-18-14(21)5-7-23-9-8-22-6-4-13(20)17-10-12(16)19/h4-11H2,1-3H3,(H2,16,19)(H,17,20)(H,18,21).
What are the key properties of N-(2-amino-2-oxoethyl)-3-[2-[3-(2,2-dimethylpropylamino)-3-oxopropoxy]ethoxy]propanamide?
N-(2-amino-2-oxoethyl)-3-[2-[3-(2,2-dimethylpropylamino)-3-oxopropoxy]ethoxy]propanamide has a molecular weight of 331.41 g/mol, XLogP of -0.44, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-3-[2-[3-(2,2-dimethylpropylamino)-3-oxopropoxy]ethoxy]propanamide is sourced from PubChem (CID 175915335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).