N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-methoxy-4-propoxybenzamide

C15H23BrN2O3 — CID 119522830

IUPACN-(1-amino-2-methylpropan-2-yl)-3-bromo-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)NC(C)(C)CN)cc1OC
InChIInChI=1S/C15H23BrN2O3/c1-5-6-21-13-11(16)7-10(8-12(13)20-4)14(19)18-15(2,3)9-17/h7-8H,5-6,9,17H2,1-4H3,(H,18,19)
InChIKeySYFGAKIRFKUFSE-UHFFFAOYSA-N
MW359.26 g/mol
LogP2.71
Rot. Bonds7

About N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-methoxy-4-propoxybenzamide

N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-methoxy-4-propoxybenzamide (PubChem CID 119522830) has the molecular formula C15H23BrN2O3 and a molecular weight of 359.26 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-methoxy-4-propoxybenzamide.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-3-bromo-5-methoxy-4-propoxybenzamide
PubChem CID119522830
Molecular FormulaC15H23BrN2O3
Molecular Weight359.26 g/mol
Exact Mass358.09
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-3-bromo-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Br)cc(C(=O)NC(C)(C)CN)cc1OC
InChIInChI=1S/C15H23BrN2O3/c1-5-6-21-13-11(16)7-10(8-12(13)20-4)14(19)18-15(2,3)9-17/h7-8H,5-6,9,17H2,1-4H3,(H,18,19)
InChIKeySYFGAKIRFKUFSE-UHFFFAOYSA-N
XLogP2.71
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-methoxy-N-(2-methylbutan-2-yl)-4-propoxybenzamide
CID 42989597
3-bromo-N,5-dimethoxy-4-propoxybenzamide
CID 51279320
3-bromo-5-methoxy-4-propoxybenzoic acid
CID 2414285
3-bromo-N-(4-tert-butylphenyl)-5-methoxy-4-propoxybenzamide
CID 7913907
3-bromo-N-butyl-5-methoxy-4-propoxybenzamide
CID 18106222
N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119521982
3-bromo-5-methoxy-N-phenyl-4-propoxybenzamide
CID 3931758
3-bromo-N-(4-bromophenyl)-5-methoxy-4-propoxybenzamide
CID 5213088
N-(2-amino-1-cyclopropylethyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119614778
3-bromo-N-(3,4-dimethylphenyl)-5-methoxy-4-propoxybenzamide
CID 5030458
N-(2-amino-2-methylpropyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119625749
3-bromo-5-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-propoxybenzamide
CID 40896926

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-methoxy-4-propoxybenzamide?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-methoxy-4-propoxybenzamide (CID 119522830) is N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-methoxy-4-propoxybenzamide.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-methoxy-4-propoxybenzamide?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-methoxy-4-propoxybenzamide is CCCOc1c(Br)cc(C(=O)NC(C)(C)CN)cc1OC.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-methoxy-4-propoxybenzamide?
The InChIKey is SYFGAKIRFKUFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2O3/c1-5-6-21-13-11(16)7-10(8-12(13)20-4)14(19)18-15(2,3)9-17/h7-8H,5-6,9,17H2,1-4H3,(H,18,19).
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-methoxy-4-propoxybenzamide?
N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-methoxy-4-propoxybenzamide has a molecular weight of 359.26 g/mol, XLogP of 2.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-3-bromo-5-methoxy-4-propoxybenzamide is sourced from PubChem (CID 119522830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).