N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide

C16H25N3O4 — CID 120507137

IUPACN-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
SMILESCOc1cc(C(=O)N[C@@H](C)CN)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C16H25N3O4/c1-10(2)18-15(20)9-23-13-6-5-12(7-14(13)22-4)16(21)19-11(3)8-17/h5-7,10-11H,8-9,17H2,1-4H3,(H,18,20)(H,19,21)/t11-/m0/s1
InChIKeyNVFZDSNMHZEEFX-NSHDSACASA-N
MW323.39 g/mol
LogP0.68
Rot. Bonds8

About N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide

N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide (PubChem CID 120507137) has the molecular formula C16H25N3O4 and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
PubChem CID120507137
Molecular FormulaC16H25N3O4
Molecular Weight323.39 g/mol
Exact Mass323.18
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
SMILESCOc1cc(C(=O)N[C@@H](C)CN)ccc1OCC(=O)NC(C)C
InChIInChI=1S/C16H25N3O4/c1-10(2)18-15(20)9-23-13-6-5-12(7-14(13)22-4)16(21)19-11(3)8-17/h5-7,10-11H,8-9,17H2,1-4H3,(H,18,20)(H,19,21)/t11-/m0/s1
InChIKeyNVFZDSNMHZEEFX-NSHDSACASA-N
XLogP0.68
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide with MolForge

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Related Compounds

2-[4-(hydrazinecarbonyl)-2-methoxyphenoxy]-N-propan-2-ylacetamide
CID 167446840
ethene;3-methoxy-N-methyl-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 167446651
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 120505097
2-(4-carbamothioyl-2-methoxyphenoxy)-N-propan-2-ylacetamide
CID 24692965
3-methoxy-N-[2-(methylamino)propyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120832066
N-[(2R)-2-(ethylamino)propyl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 120654487
N-(2-amino-2-oxo-1-phenylethyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55776273
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-methylbenzamide
CID 120507834
3-methoxy-N-[1-(4-methoxyphenyl)-2-methylpropyl]-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 55772596
N-(4-bromophenyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
CID 46486629
N-(4-aminocyclohexyl)-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide;hydrochloride
CID 119478225
N-(1-aminooxypropan-2-yl)-3,4-dimethoxybenzamide
CID 112501675

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide (CID 120507137) is N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide is COc1cc(C(=O)N[C@@H](C)CN)ccc1OCC(=O)NC(C)C.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
The InChIKey is NVFZDSNMHZEEFX-NSHDSACASA-N. The full InChI is InChI=1S/C16H25N3O4/c1-10(2)18-15(20)9-23-13-6-5-12(7-14(13)22-4)16(21)19-11(3)8-17/h5-7,10-11H,8-9,17H2,1-4H3,(H,18,20)(H,19,21)/t11-/m0/s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide?
N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide has a molecular weight of 323.39 g/mol, XLogP of 0.68, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide is sourced from PubChem (CID 120507137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).