N-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide

C15H22N2O2 — CID 120651699

IUPACN-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NC[C@@H](C)NCC
InChIInChI=1S/C15H22N2O2/c1-4-10-19-14-9-7-6-8-13(14)15(18)17-11-12(3)16-5-2/h4,6-9,12,16H,1,5,10-11H2,2-3H3,(H,17,18)/t12-/m1/s1
InChIKeyQRAAUYWTJWPWAF-GFCCVEGCSA-N
MW262.35 g/mol
LogP1.98
Rot. Bonds8

About N-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide

N-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide (PubChem CID 120651699) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide
PubChem CID120651699
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NC[C@@H](C)NCC
InChIInChI=1S/C15H22N2O2/c1-4-10-19-14-9-7-6-8-13(14)15(18)17-11-12(3)16-5-2/h4,6-9,12,16H,1,5,10-11H2,2-3H3,(H,17,18)/t12-/m1/s1
InChIKeyQRAAUYWTJWPWAF-GFCCVEGCSA-N
XLogP1.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylbutyl)-2-prop-2-enoxybenzamide
CID 115612991
N-[(2R)-2-(ethylamino)propyl]-2-methoxybenzamide
CID 120650635
N-[2-(2-hydroxyethyl)pentyl]-2-prop-2-enoxybenzamide
CID 103725734
N-[(2R)-2-(ethylamino)propyl]-2-methylsulfanylbenzamide
CID 120650563
2-acetyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120652333
N-(4-hydroxybutan-2-yl)-2-prop-2-enoxybenzamide
CID 113278524
N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
CID 17045713
N-[(2R)-2-(ethylamino)propyl]-2-propan-2-ylsulfonylbenzamide
CID 120653669
(2S)-3-methyl-2-[(2-prop-2-enoxybenzoyl)amino]pentanoic acid
CID 61172917
N-[(2R)-2-(ethylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride
CID 120653338
N-[(2S)-1-(3-phenylpent-4-enoylamino)propan-2-yl]-2-prop-2-enoxybenzamide
CID 167755068
2-benzoyl-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654591

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide (CID 120651699) is N-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide is C=CCOc1ccccc1C(=O)NC[C@@H](C)NCC.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide?
The InChIKey is QRAAUYWTJWPWAF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-10-19-14-9-7-6-8-13(14)15(18)17-11-12(3)16-5-2/h4,6-9,12,16H,1,5,10-11H2,2-3H3,(H,17,18)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide?
N-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide has a molecular weight of 262.35 g/mol, XLogP of 1.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide is sourced from PubChem (CID 120651699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).