N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide

C19H23N3O5 — CID 120650717

IUPACN-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide
SMILESCCN[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1
InChIInChI=1S/C19H23N3O5/c1-4-20-13(2)12-21-19(23)17-11-14(22(24)25)5-10-18(17)27-16-8-6-15(26-3)7-9-16/h5-11,13,20H,4,12H2,1-3H3,(H,21,23)/t13-/m1/s1
InChIKeyAWOKQRYURRVFMI-CYBMUJFWSA-N
MW373.41 g/mol
LogP3.12
Rot. Bonds9

About N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide

N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide (PubChem CID 120650717) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide
PubChem CID120650717
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide
SMILESCCN[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1
InChIInChI=1S/C19H23N3O5/c1-4-20-13(2)12-21-19(23)17-11-14(22(24)25)5-10-18(17)27-16-8-6-15(26-3)7-9-16/h5-11,13,20H,4,12H2,1-3H3,(H,21,23)/t13-/m1/s1
InChIKeyAWOKQRYURRVFMI-CYBMUJFWSA-N
XLogP3.12
TPSA102.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 53.12
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

2-(4-methoxyphenoxy)-N-[3-(methylamino)propyl]-5-nitrobenzamide;hydrochloride
CID 119434119
3-[[2-(4-methoxyphenoxy)-5-nitrobenzoyl]amino]-2,2-dimethylpropanoic acid
CID 119250353
2-bromo-N-[(2R)-2-(ethylamino)propyl]-4-nitrobenzamide
CID 120650159
N-(2-hydroxypentyl)-2-methoxy-5-nitrobenzamide
CID 115700529
2-methoxy-3-[(2-methoxy-5-nitrobenzoyl)amino]propanoic acid
CID 106107789
N-(4-methoxyphenyl)-5-nitro-2-propan-2-yloxybenzamide
CID 139678187
N-[(2R)-2-(ethylamino)propyl]-6-nitro-2-oxo-1H-quinoline-4-carboxamide
CID 120651419
2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide
CID 141452154
2-(4-methoxyphenoxy)-5-nitro-N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 25150695
N-[(2S)-2-hydroxypropyl]-2-methoxy-4-nitrobenzamide
CID 113452647
N-[2-(aminomethyl)cyclopentyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide
CID 119605134
N-[(2R)-2-(ethylamino)propyl]-7-methoxy-2-methylquinoline-3-carboxamide
CID 120653655

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide (CID 120650717) is N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide is CCN[C@H](C)CNC(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide?
The InChIKey is AWOKQRYURRVFMI-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-4-20-13(2)12-21-19(23)17-11-14(22(24)25)5-10-18(17)27-16-8-6-15(26-3)7-9-16/h5-11,13,20H,4,12H2,1-3H3,(H,21,23)/t13-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide?
N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide has a molecular weight of 373.41 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-(4-methoxyphenoxy)-5-nitrobenzamide is sourced from PubChem (CID 120650717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).