N-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethyl]-2-(propan-2-ylamino)acetamide

C18H37N3O4 — CID 170597970

IUPACN-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethyl]-2-(propan-2-ylamino)acetamide
SMILESCCCCCCCNC(=O)COCCOCCNC(=O)CNC(C)C
InChIInChI=1S/C18H37N3O4/c1-4-5-6-7-8-9-19-18(23)15-25-13-12-24-11-10-20-17(22)14-21-16(2)3/h16,21H,4-15H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyIRIVJZPTQNZVCS-UHFFFAOYSA-N
MW359.51 g/mol
LogP1.22
Rot. Bonds17

About N-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethyl]-2-(propan-2-ylamino)acetamide

N-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethyl]-2-(propan-2-ylamino)acetamide (PubChem CID 170597970) has the molecular formula C18H37N3O4 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethyl]-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethyl]-2-(propan-2-ylamino)acetamide
PubChem CID170597970
Molecular FormulaC18H37N3O4
Molecular Weight359.51 g/mol
Exact Mass359.28
IUPAC NameN-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethyl]-2-(propan-2-ylamino)acetamide
SMILESCCCCCCCNC(=O)COCCOCCNC(=O)CNC(C)C
InChIInChI=1S/C18H37N3O4/c1-4-5-6-7-8-9-19-18(23)15-25-13-12-24-11-10-20-17(22)14-21-16(2)3/h16,21H,4-15H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyIRIVJZPTQNZVCS-UHFFFAOYSA-N
XLogP1.22
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 51.22
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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Related Compounds

N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
CID 89417865
N-butyl-2-[2-[2-[[2-(2-propoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
CID 89176591
2-[2-(2-aminoethoxy)ethoxy]-N-hexylacetamide
CID 144607638
2-[2-[2-(2-hexoxyethoxy)ethoxy]ethoxy]-N-(4-methylpentyl)acetamide
CID 171838407
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 89176712
N-[2-[2-[2-(ethylamino)-2-oxoethoxy]ethoxy]ethyl]octadecanamide
CID 89136762
2-(methylamino)-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pentylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 145263476
2-[2-(2-butoxyethoxy)ethoxy]-N-butylacetamide
CID 155190113
2-methyl-N-[5-[5-[(2-octoxyacetyl)amino]pentoxy]pentyl]pentanamide
CID 170040572
N-[4-[2-[2-[2-[2-[2-[2-(3-hydroxypropylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethylamino]-4-oxobutyl]octadecanamide
CID 166959227
2-[[2-[2-[2-(hexadecanoylamino)ethoxy]ethoxy]acetyl]amino]acetic acid
CID 87275453
N-butyl-2-[2-(4-methylpentoxy)ethoxy]acetamide
CID 156795089

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethyl]-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethyl]-2-(propan-2-ylamino)acetamide (CID 170597970) is N-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethyl]-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethyl]-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethyl]-2-(propan-2-ylamino)acetamide is CCCCCCCNC(=O)COCCOCCNC(=O)CNC(C)C.
What is the InChIKey of N-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethyl]-2-(propan-2-ylamino)acetamide?
The InChIKey is IRIVJZPTQNZVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3O4/c1-4-5-6-7-8-9-19-18(23)15-25-13-12-24-11-10-20-17(22)14-21-16(2)3/h16,21H,4-15H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of N-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethyl]-2-(propan-2-ylamino)acetamide?
N-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethyl]-2-(propan-2-ylamino)acetamide has a molecular weight of 359.51 g/mol, XLogP of 1.22, 17 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethyl]-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 170597970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).