ethyl 2-(N-cyclopropyl-4-methoxy-2-nitroanilino)acetate

C14H18N2O5 — CID 62004608

IUPACethyl 2-(N-cyclopropyl-4-methoxy-2-nitroanilino)acetate
SMILESCCOC(=O)CN(c1ccc(OC)cc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C14H18N2O5/c1-3-21-14(17)9-15(10-4-5-10)12-7-6-11(20-2)8-13(12)16(18)19/h6-8,10H,3-5,9H2,1-2H3
InChIKeyLSBRASGPQDAKCE-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.14
Rot. Bonds7

About ethyl 2-(N-cyclopropyl-4-methoxy-2-nitroanilino)acetate

ethyl 2-(N-cyclopropyl-4-methoxy-2-nitroanilino)acetate (PubChem CID 62004608) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is ethyl 2-(N-cyclopropyl-4-methoxy-2-nitroanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(N-cyclopropyl-4-methoxy-2-nitroanilino)acetate
PubChem CID62004608
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Nameethyl 2-(N-cyclopropyl-4-methoxy-2-nitroanilino)acetate
SMILESCCOC(=O)CN(c1ccc(OC)cc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C14H18N2O5/c1-3-21-14(17)9-15(10-4-5-10)12-7-6-11(20-2)8-13(12)16(18)19/h6-8,10H,3-5,9H2,1-2H3
InChIKeyLSBRASGPQDAKCE-UHFFFAOYSA-N
XLogP2.14
TPSA81.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(4-methoxy-N-methyl-2-nitroanilino)acetate
CID 62006592
ethyl 2-(N-cyclopropyl-4-fluoro-5-methyl-2-nitroanilino)acetate
CID 103594331
3-(N-cyclopropyl-4-methoxy-2-nitroanilino)propanenitrile
CID 54997366
ethyl 2-[cyclopropyl-(3-nitro-2-pyridinyl)amino]acetate
CID 62006677
1-[4-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-3-nitrophenyl]ethanone
CID 55393971
ethyl 2-(N-cyclopropyl-3-fluoro-2-nitroanilino)acetate
CID 62007053
N-(4-methoxy-2-nitrophenyl)-N-propylpiperidin-3-amine
CID 63636836
2-[N-(cyclopropylmethyl)-4-methoxy-2-nitroanilino]acetic acid
CID 43656380
2-(N-ethyl-4-methoxy-2-nitroanilino)acetic acid
CID 54900187
ethyl 2-(2-cyano-N-cyclopropyl-4-methylanilino)acetate
CID 107927296
ethyl N-(5-methoxy-2-nitrophenyl)-N-methylcarbamate
CID 141127890
ethyl 3-[4-[(1,1-dihydroxythian-4-yl)-propylamino]-3-nitrophenyl]-3-methylbutanoate
CID 122587581

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(N-cyclopropyl-4-methoxy-2-nitroanilino)acetate?
The IUPAC name of ethyl 2-(N-cyclopropyl-4-methoxy-2-nitroanilino)acetate (CID 62004608) is ethyl 2-(N-cyclopropyl-4-methoxy-2-nitroanilino)acetate.
What is the SMILES notation for ethyl 2-(N-cyclopropyl-4-methoxy-2-nitroanilino)acetate?
The canonical SMILES for ethyl 2-(N-cyclopropyl-4-methoxy-2-nitroanilino)acetate is CCOC(=O)CN(c1ccc(OC)cc1[N+](=O)[O-])C1CC1.
What is the InChIKey of ethyl 2-(N-cyclopropyl-4-methoxy-2-nitroanilino)acetate?
The InChIKey is LSBRASGPQDAKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-3-21-14(17)9-15(10-4-5-10)12-7-6-11(20-2)8-13(12)16(18)19/h6-8,10H,3-5,9H2,1-2H3.
What are the key properties of ethyl 2-(N-cyclopropyl-4-methoxy-2-nitroanilino)acetate?
ethyl 2-(N-cyclopropyl-4-methoxy-2-nitroanilino)acetate has a molecular weight of 294.31 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(N-cyclopropyl-4-methoxy-2-nitroanilino)acetate is sourced from PubChem (CID 62004608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).