3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide

C17H24N2O4 — CID 27861011

IUPAC3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N[C@@H](C)C(=O)NCCC)cc1OC
InChIInChI=1S/C17H24N2O4/c1-5-9-18-16(20)12(3)19-17(21)13-7-8-14(23-10-6-2)15(11-13)22-4/h6-8,11-12H,2,5,9-10H2,1,3-4H3,(H,18,20)(H,19,21)/t12-/m0/s1
InChIKeyNHQHTBNUKMTGPG-LBPRGKRZSA-N
MW320.39 g/mol
LogP1.90
Rot. Bonds9

About 3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide

3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide (PubChem CID 27861011) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide.

Molecular Properties

Compound Name3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide
PubChem CID27861011
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)N[C@@H](C)C(=O)NCCC)cc1OC
InChIInChI=1S/C17H24N2O4/c1-5-9-18-16(20)12(3)19-17(21)13-7-8-14(23-10-6-2)15(11-13)22-4/h6-8,11-12H,2,5,9-10H2,1,3-4H3,(H,18,20)(H,19,21)/t12-/m0/s1
InChIKeyNHQHTBNUKMTGPG-LBPRGKRZSA-N
XLogP1.90
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-butoxy-3-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 46655429
3-amino-4-methoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61476385
3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide
CID 18161158
4-bromo-3,5-dimethoxy-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 17412288
N-[1-(4-ethylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 46654068
3-methoxy-N-[2-(methylamino)ethyl]-4-prop-2-enoxybenzamide;hydrochloride
CID 119503473
N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide
CID 119998178
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-methoxy-4-phenylmethoxybenzamide
CID 8750850
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 24550128
3-methoxy-N-[1-(4-methoxyphenyl)propyl]-4-prop-2-enoxybenzamide
CID 24547727
2,4,5-trimethoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733093
N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
CID 119998177

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide?
The IUPAC name of 3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide (CID 27861011) is 3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide.
What is the SMILES notation for 3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide?
The canonical SMILES for 3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)N[C@@H](C)C(=O)NCCC)cc1OC.
What is the InChIKey of 3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide?
The InChIKey is NHQHTBNUKMTGPG-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-5-9-18-16(20)12(3)19-17(21)13-7-8-14(23-10-6-2)15(11-13)22-4/h6-8,11-12H,2,5,9-10H2,1,3-4H3,(H,18,20)(H,19,21)/t12-/m0/s1.
What are the key properties of 3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide?
3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide has a molecular weight of 320.39 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide is sourced from PubChem (CID 27861011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).