(2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide

C14H19N3O6 — CID 8566597

IUPAC(2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide
SMILESCCNC(=O)[C@H](C)NC(=O)COc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C14H19N3O6/c1-4-15-14(19)9(2)16-13(18)8-23-12-7-10(17(20)21)5-6-11(12)22-3/h5-7,9H,4,8H2,1-3H3,(H,15,19)(H,16,18)/t9-/m0/s1
InChIKeyMARAYVDUQDCSNJ-VIFPVBQESA-N
MW325.32 g/mol
LogP0.62
Rot. Bonds8

About (2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide

(2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide (PubChem CID 8566597) has the molecular formula C14H19N3O6 and a molecular weight of 325.32 g/mol. Its IUPAC name is (2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide
PubChem CID8566597
Molecular FormulaC14H19N3O6
Molecular Weight325.32 g/mol
Exact Mass325.13
IUPAC Name(2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide
SMILESCCNC(=O)[C@H](C)NC(=O)COc1cc([N+](=O)[O-])ccc1OC
InChIInChI=1S/C14H19N3O6/c1-4-15-14(19)9(2)16-13(18)8-23-12-7-10(17(20)21)5-6-11(12)22-3/h5-7,9H,4,8H2,1-3H3,(H,15,19)(H,16,18)/t9-/m0/s1
InChIKeyMARAYVDUQDCSNJ-VIFPVBQESA-N
XLogP0.62
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-heptan-2-yl-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 51216237
(2S)-N-ethyl-2-[[2-(2-methoxyphenoxy)acetyl]amino]propanamide
CID 8750931
(2R)-2-[[2-(2-chloro-4-nitrophenoxy)acetyl]amino]-N-propylpropanamide
CID 8587785
2-(2-methoxy-5-nitrophenoxy)-N-[(2S)-6-methylheptan-2-yl]acetamide
CID 8566643
2-(2-methoxy-5-nitrophenoxy)-N-(3-methylbutyl)acetamide
CID 7931749
2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931860
2-(2-methoxy-5-nitrophenoxy)-N-pentylacetamide
CID 8566633
2-(2-methoxy-5-nitrophenoxy)-N-(1-phenylbutyl)acetamide
CID 51184403
ethyl N-[2-(2-methoxy-5-nitrophenoxy)acetyl]carbamate
CID 7931792
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7932009
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7932010
N-[4-[(2R)-butan-2-yl]phenyl]-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 7931927

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide?
The IUPAC name of (2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide (CID 8566597) is (2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide.
What is the SMILES notation for (2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide?
The canonical SMILES for (2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide is CCNC(=O)[C@H](C)NC(=O)COc1cc([N+](=O)[O-])ccc1OC.
What is the InChIKey of (2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide?
The InChIKey is MARAYVDUQDCSNJ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19N3O6/c1-4-15-14(19)9(2)16-13(18)8-23-12-7-10(17(20)21)5-6-11(12)22-3/h5-7,9H,4,8H2,1-3H3,(H,15,19)(H,16,18)/t9-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide?
(2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide has a molecular weight of 325.32 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-[[2-(2-methoxy-5-nitrophenoxy)acetyl]amino]propanamide is sourced from PubChem (CID 8566597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).