N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide

C15H22N2O3 — CID 119998178

IUPACN-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCC(C)CN)cc1OC
InChIInChI=1S/C15H22N2O3/c1-4-7-20-13-6-5-12(8-14(13)19-3)15(18)17-10-11(2)9-16/h4-6,8,11H,1,7,9-10,16H2,2-3H3,(H,17,18)
InChIKeyXATXCVPWNXWITJ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.58
Rot. Bonds8

About N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide

N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide (PubChem CID 119998178) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide
PubChem CID119998178
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NCC(C)CN)cc1OC
InChIInChI=1S/C15H22N2O3/c1-4-7-20-13-6-5-12(8-14(13)19-3)15(18)17-10-11(2)9-16/h4-6,8,11H,1,7,9-10,16H2,2-3H3,(H,17,18)
InChIKeyXATXCVPWNXWITJ-UHFFFAOYSA-N
XLogP1.58
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.58
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

N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
CID 119998177
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide;hydrochloride
CID 119526888
3-methoxy-N-[2-(methylamino)ethyl]-4-prop-2-enoxybenzamide;hydrochloride
CID 119503473
N-[2-(diethylamino)-2-phenylethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 55527031
3-methoxy-N-(1-methoxypropan-2-yl)-4-prop-2-enoxybenzamide
CID 18161158
N-(3-amino-2-methylpropyl)-3-methoxy-4-nitrobenzamide;hydrochloride
CID 119997019
3-[(3-methoxy-4-prop-2-enoxybenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119249472
3-methoxy-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-4-prop-2-enoxybenzamide
CID 27861011
3-methoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-prop-2-enoxybenzamide
CID 24624995
3-methoxy-N-[[4-(methylcarbamoyl)phenyl]methyl]-4-prop-2-enoxybenzamide
CID 55575895
3-methoxy-N-[2-(4-propan-2-yloxyphenyl)ethyl]-4-prop-2-enoxybenzamide
CID 33159433
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-methoxy-4-prop-2-enoxybenzamide
CID 24640038

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide (CID 119998178) is N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NCC(C)CN)cc1OC.
What is the InChIKey of N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide?
The InChIKey is XATXCVPWNXWITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-7-20-13-6-5-12(8-14(13)19-3)15(18)17-10-11(2)9-16/h4-6,8,11H,1,7,9-10,16H2,2-3H3,(H,17,18).
What are the key properties of N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide?
N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide has a molecular weight of 278.35 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-3-methoxy-4-prop-2-enoxybenzamide is sourced from PubChem (CID 119998178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).