N-[(5S)-7-amino-5-ethyl-6-oxoheptyl]-2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide

C21H41N3O7 — CID 160915375

IUPACN-[(5S)-7-amino-5-ethyl-6-oxoheptyl]-2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
SMILESCCOCCOCC(=O)NCCOCCOCC(=O)NCCCC[C@H](CC)C(=O)CN
InChIInChI=1S/C21H41N3O7/c1-3-18(19(25)15-22)7-5-6-8-23-20(26)16-31-14-12-29-10-9-24-21(27)17-30-13-11-28-4-2/h18H,3-17,22H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1
InChIKeyPWSHMYDQUKECIS-SFHVURJKSA-N
MW447.57 g/mol
LogP0.03
Rot. Bonds22

About N-[(5S)-7-amino-5-ethyl-6-oxoheptyl]-2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide

N-[(5S)-7-amino-5-ethyl-6-oxoheptyl]-2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide (PubChem CID 160915375) has the molecular formula C21H41N3O7 and a molecular weight of 447.57 g/mol. Its IUPAC name is N-[(5S)-7-amino-5-ethyl-6-oxoheptyl]-2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide.

Molecular Properties

Compound NameN-[(5S)-7-amino-5-ethyl-6-oxoheptyl]-2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
PubChem CID160915375
Molecular FormulaC21H41N3O7
Molecular Weight447.57 g/mol
Exact Mass447.29
IUPAC NameN-[(5S)-7-amino-5-ethyl-6-oxoheptyl]-2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide
SMILESCCOCCOCC(=O)NCCOCCOCC(=O)NCCCC[C@H](CC)C(=O)CN
InChIInChI=1S/C21H41N3O7/c1-3-18(19(25)15-22)7-5-6-8-23-20(26)16-31-14-12-29-10-9-24-21(27)17-30-13-11-28-4-2/h18H,3-17,22H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1
InChIKeyPWSHMYDQUKECIS-SFHVURJKSA-N
XLogP0.03
TPSA138.21 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.57
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043663
2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-[(4S)-4-methyl-5-oxohexyl]acetamide
CID 89404001
2-ethoxy-N-[2-[2-[2-[2-[(2-ethoxyacetyl)amino]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 142043664
2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]-N-methylacetamide
CID 139325518
N-[(5S)-5-aminohexyl]-2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 172551422
2-[2-(2-aminoethoxy)ethoxy]-N-hexylacetamide
CID 144607638
N-[2-[2-[2-[2-[2-[2-[(5-amino-6-oxo-6-phosphanylhexyl)amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]propanamide
CID 144843670
2-(2-aminoethoxy)-N-(3-ethoxypropyl)acetamide
CID 79463091
2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-5-[[(5S)-5-ethyl-7-hydroxy-6-oxoheptyl]amino]-5-oxopentanoic acid
CID 159945717
(2S)-6-[[2-[2-[2-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-2-aminohexanoic acid
CID 134198402
2-(methylamino)-6-[[2-[2-[2-[[2-[2-[2-[[2-[2-[2-[[2-[2-[2-[[2-[2-[2-[(2-propoxyacetyl)amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]hexanoic acid
CID 175629814
(2S)-5-[2-[2-[5-[2-[2-[[(5S)-5-amino-5-carboxypentyl]amino]-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-2-ethyl-5-oxopentanoic acid
CID 162244742

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-7-amino-5-ethyl-6-oxoheptyl]-2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide?
The IUPAC name of N-[(5S)-7-amino-5-ethyl-6-oxoheptyl]-2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide (CID 160915375) is N-[(5S)-7-amino-5-ethyl-6-oxoheptyl]-2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide.
What is the SMILES notation for N-[(5S)-7-amino-5-ethyl-6-oxoheptyl]-2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide?
The canonical SMILES for N-[(5S)-7-amino-5-ethyl-6-oxoheptyl]-2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide is CCOCCOCC(=O)NCCOCCOCC(=O)NCCCC[C@H](CC)C(=O)CN.
What is the InChIKey of N-[(5S)-7-amino-5-ethyl-6-oxoheptyl]-2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide?
The InChIKey is PWSHMYDQUKECIS-SFHVURJKSA-N. The full InChI is InChI=1S/C21H41N3O7/c1-3-18(19(25)15-22)7-5-6-8-23-20(26)16-31-14-12-29-10-9-24-21(27)17-30-13-11-28-4-2/h18H,3-17,22H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1.
What are the key properties of N-[(5S)-7-amino-5-ethyl-6-oxoheptyl]-2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide?
N-[(5S)-7-amino-5-ethyl-6-oxoheptyl]-2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide has a molecular weight of 447.57 g/mol, XLogP of 0.03, 22 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-7-amino-5-ethyl-6-oxoheptyl]-2-[2-[2-[[2-(2-ethoxyethoxy)acetyl]amino]ethoxy]ethoxy]acetamide is sourced from PubChem (CID 160915375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).