(2S)-2-acetamido-3-(2-azidoethoxy)-N-benzylpropanamide

C14H19N5O3 — CID 44543285

IUPAC(2S)-2-acetamido-3-(2-azidoethoxy)-N-benzylpropanamide
SMILESCC(=O)N[C@@H](COCCN=[N+]=[N-])C(=O)NCc1ccccc1
InChIInChI=1S/C14H19N5O3/c1-11(20)18-13(10-22-8-7-17-19-15)14(21)16-9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,16,21)(H,18,20)/t13-/m0/s1
InChIKeySREPBLXXZZFLCP-ZDUSSCGKSA-N
MW305.34 g/mol
LogP1.13
Rot. Bonds9

About (2S)-2-acetamido-3-(2-azidoethoxy)-N-benzylpropanamide

(2S)-2-acetamido-3-(2-azidoethoxy)-N-benzylpropanamide (PubChem CID 44543285) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is (2S)-2-acetamido-3-(2-azidoethoxy)-N-benzylpropanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-3-(2-azidoethoxy)-N-benzylpropanamide
PubChem CID44543285
Molecular FormulaC14H19N5O3
Molecular Weight305.34 g/mol
Exact Mass305.15
IUPAC Name(2S)-2-acetamido-3-(2-azidoethoxy)-N-benzylpropanamide
SMILESCC(=O)N[C@@H](COCCN=[N+]=[N-])C(=O)NCc1ccccc1
InChIInChI=1S/C14H19N5O3/c1-11(20)18-13(10-22-8-7-17-19-15)14(21)16-9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,16,21)(H,18,20)/t13-/m0/s1
InChIKeySREPBLXXZZFLCP-ZDUSSCGKSA-N
XLogP1.13
TPSA116.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Related Compounds

(2R)-2-acetamido-N-benzyl-3-(trideuteriomethoxy)propanamide
CID 45110082
(2R)-2-acetamido-N-benzyl-3-prop-2-ynoxypropanamide
CID 44543282
methyl (2R)-2-acetamido-3-(2-azidoethoxy)propanoate
CID 44542973
2-acetamido-N-benzyl-4-phenylmethoxybutanamide
CID 123170982
(2S)-N-benzyl-2-[(2-iodoacetyl)amino]-3-methoxypropanamide
CID 172598061
(2R)-2-acetamido-N-benzyl-3-ethoxypropanamide;(2R)-2-acetamido-N-benzyl-3-methoxypropanamide;(2R)-2-acetamido-3-methoxy-N-[(3-methylphenyl)methyl]propanamide;(2R)-2-acetamido-3-methoxy-N-[(4-methylphenyl)methyl]propanamide;methane
CID 160768830
(3S)-3-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid;(3S)-3-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-4-[2-(2-methoxyethoxy)ethylamino]-4-oxobutanoic acid;(3S)-3-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid;(3S)-3-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-4-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-4-oxobutanoic acid;(3S)-3-[[(2S)-2-acetamido-3-phenylpropanoyl]amino]-4-[2-(2-methoxyethoxy)ethylamino]-4-oxobutanoic acid;(3S)-3-[[(2R)-2-acetamido-3-phenylpropanoyl]amino]-4-[2-(2-methoxyethoxy)ethylamino]-4-oxobutanoic acid
CID 159591541
(2S)-2-acetamido-3-(2-aminoethoxy)-N-[(4-ethynylphenyl)methyl]propanamide
CID 44542968
2-acetamido-N-benzyl-2-(hydroxyamino)acetamide
CID 14860703
(2R)-2-acetamido-3-methoxy-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 45486407
(2R)-2-acetamido-N-[[4-(aminomethyl)phenyl]methyl]-3-methoxypropanamide;hydrochloride
CID 45486412
2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl N-[(2R)-1-(benzylamino)-3-methoxy-1-oxopropan-2-yl]carbamate
CID 56960724

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-3-(2-azidoethoxy)-N-benzylpropanamide?
The IUPAC name of (2S)-2-acetamido-3-(2-azidoethoxy)-N-benzylpropanamide (CID 44543285) is (2S)-2-acetamido-3-(2-azidoethoxy)-N-benzylpropanamide.
What is the SMILES notation for (2S)-2-acetamido-3-(2-azidoethoxy)-N-benzylpropanamide?
The canonical SMILES for (2S)-2-acetamido-3-(2-azidoethoxy)-N-benzylpropanamide is CC(=O)N[C@@H](COCCN=[N+]=[N-])C(=O)NCc1ccccc1.
What is the InChIKey of (2S)-2-acetamido-3-(2-azidoethoxy)-N-benzylpropanamide?
The InChIKey is SREPBLXXZZFLCP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-11(20)18-13(10-22-8-7-17-19-15)14(21)16-9-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,16,21)(H,18,20)/t13-/m0/s1.
What are the key properties of (2S)-2-acetamido-3-(2-azidoethoxy)-N-benzylpropanamide?
(2S)-2-acetamido-3-(2-azidoethoxy)-N-benzylpropanamide has a molecular weight of 305.34 g/mol, XLogP of 1.13, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-3-(2-azidoethoxy)-N-benzylpropanamide is sourced from PubChem (CID 44543285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).