N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide

C21H41N5O10 — CID 172523374

IUPACN-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
SMILESCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H](N=[N+]=[N-])C(N)=O
InChIInChI=1S/C21H41N5O10/c1-2-29-5-6-31-9-10-33-13-14-35-17-18-36-16-15-34-12-11-32-8-7-30-4-3-19(27)24-21(20(22)28)25-26-23/h21H,2-18H2,1H3,(H2,22,28)(H,24,27)/t21-/m0/s1
InChIKeyQUQZOZYWCHKBER-NRFANRHFSA-N
MW523.58 g/mol
LogP-0.23
Rot. Bonds28

About N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide

N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide (PubChem CID 172523374) has the molecular formula C21H41N5O10 and a molecular weight of 523.58 g/mol. Its IUPAC name is N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide.

Molecular Properties

Compound NameN-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
PubChem CID172523374
Molecular FormulaC21H41N5O10
Molecular Weight523.58 g/mol
Exact Mass523.29
IUPAC NameN-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide
SMILESCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H](N=[N+]=[N-])C(N)=O
InChIInChI=1S/C21H41N5O10/c1-2-29-5-6-31-9-10-33-13-14-35-17-18-36-16-15-34-12-11-32-8-7-30-4-3-19(27)24-21(20(22)28)25-26-23/h21H,2-18H2,1H3,(H2,22,28)(H,24,27)/t21-/m0/s1
InChIKeyQUQZOZYWCHKBER-NRFANRHFSA-N
XLogP-0.23
TPSA194.79 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.58
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
The IUPAC name of N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide (CID 172523374) is N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide.
What is the SMILES notation for N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
The canonical SMILES for N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide is CCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)N[C@@H](N=[N+]=[N-])C(N)=O.
What is the InChIKey of N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
The InChIKey is QUQZOZYWCHKBER-NRFANRHFSA-N. The full InChI is InChI=1S/C21H41N5O10/c1-2-29-5-6-31-9-10-33-13-14-35-17-18-36-16-15-34-12-11-32-8-7-30-4-3-19(27)24-21(20(22)28)25-26-23/h21H,2-18H2,1H3,(H2,22,28)(H,24,27)/t21-/m0/s1.
What are the key properties of N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide?
N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide has a molecular weight of 523.58 g/mol, XLogP of -0.23, 28 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-amino-1-azido-2-oxoethyl]-3-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanamide is sourced from PubChem (CID 172523374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).